58298220
  -OEChem-05142421562D

 67 70  0     1  0  0  0  0  0999 V2000
    7.9844   -2.1002    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.4021   -1.3958    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   11.2304   -3.4433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    1.0688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6545   -0.9206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7826   -1.3729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443   -0.6913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9790   -1.9957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144   -0.5867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9899   -2.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1440   -5.0366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0890   -3.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2112   -0.8080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8799   -1.1057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5931   -1.9835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.6566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6081   -5.0366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0100   -3.5366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8760   -5.0366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.1566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0613   -1.8342    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.0394   -2.0421    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.5613   -2.7002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1440   -3.0366    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2320    0.1178    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2320    0.1178    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9230    1.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6566    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5668   -2.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8198   -0.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0100   -4.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8760   -3.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7420   -3.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7420   -4.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4421   -1.8017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8790   -1.4432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3391   -3.2790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1115   -3.6558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5135   -0.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8444    0.2148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130    1.6058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566    0.8166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2845    1.9381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0095   -3.0765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7376   -3.4007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2626   -0.9630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9907   -1.2872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0190   -0.4190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6537   -0.7665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0277   -0.6264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8760   -2.4166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.8466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8760   -5.6566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2790   -3.2266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.4666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.1935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.9666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    4.1197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5874   -3.4592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1464   -0.1914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  1 15  2  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  2 16  2  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 28  1  0  0  0  0
  4 30  1  0  0  0  0
  5 23  1  0  0  0  0
  5 55  1  0  0  0  0
  6 24  1  0  0  0  0
  6 56  1  0  0  0  0
  7 27  1  0  0  0  0
  7 57  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
 11 33  2  0  0  0  0
 12 36  2  0  0  0  0
 13 66  1  0  0  0  0
 14 67  1  0  0  0  0
 17 39  2  0  0  0  0
 18 40  2  0  0  0  0
 26 19  1  6  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 30 20  1  6  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 33  1  0  0  0  0
 21 40  1  0  0  0  0
 21 60  1  0  0  0  0
 22 36  1  0  0  0  0
 22 39  1  0  0  0  0
 22 62  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 42  1  0  0  0  0
 24 26  1  0  0  0  0
 24 43  1  0  0  0  0
 25 31  1  6  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 46  1  0  0  0  0
 28 32  1  6  0  0  0
 28 47  1  0  0  0  0
 29 30  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
 32 53  1  0  0  0  0
 32 54  1  0  0  0  0
 34 38  2  0  0  0  0
 34 58  1  0  0  0  0
 35 37  2  0  0  0  0
 35 59  1  0  0  0  0
 37 39  1  0  0  0  0
 37 41  1  0  0  0  0
 38 40  1  0  0  0  0
 38 61  1  0  0  0  0
 41 63  1  0  0  0  0
 41 64  1  0  0  0  0
 41 65  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
58298220

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1260

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
16

> <PUBCHEM_CACTVS_HBOND_DONOR>
7

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7vgMAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAAAHgAQCCAADBThgAYDAAPABxCIQiFWUICAAAAAAgAIAAEIAECDEAIAgQAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
[[(2R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl hydrogen phosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
[[(2<I>R</I>,5<I>R</I>)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2<I>R</I>,5<I>R</I>)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate

> <PUBCHEM_IUPAC_NAME>
[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[[(2R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[[(2R,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H26N4O16P2/c1-8-5-23(19(30)21-16(8)28)13-4-9(24)10(37-13)6-35-40(31,32)39-41(33,34)36-7-11-14(26)15(27)17(38-11)22-3-2-12(25)20-18(22)29/h2-3,5,9-11,13-15,17,24,26-27H,4,6-7H2,1H3,(H,31,32)(H,33,34)(H,20,25,29)(H,21,28,30)/t9?,10-,11-,13-,14?,15?,17-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
BYUQPQISONFFIK-CSIQTGDFSA-N

> <PUBCHEM_XLOGP3_AA>
-5.6

> <PUBCHEM_EXACT_MASS>
628.08190475

> <PUBCHEM_MOLECULAR_FORMULA>
C19H26N4O16P2

> <PUBCHEM_MOLECULAR_WEIGHT>
628.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CN(C(=O)NC1=O)[C@H]2CC([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3C(C([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
280

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
628.08190475

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
41

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
26  19  6
19  33  8
19  34  8
30  20  6
20  35  8
20  36  8
21  33  8
21  40  8
22  36  8
22  39  8
25  31  6
28  32  6
34  38  8
35  37  8
37  39  8
38  40  8
23  5  3
24  6  3
27  7  3

$$$$