69589074
  -OEChem-04252411242D

 41 42  0     1  0  0  0  0  0999 V2000
    8.8675   -3.1217    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064   -0.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374   -0.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1096   -2.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2797   -2.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9295    0.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4553   -3.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6765   -2.5339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0585   -3.7094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974    3.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974    0.9307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    2.4307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884   -0.6571    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6974   -1.6082    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6974   -1.6082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1974   -0.0693    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2852   -2.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3314    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3314    2.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974    2.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -0.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -1.0955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9789   -2.1606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3098   -1.5112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7498    0.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7280   -2.6890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4561   -3.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3618   -2.9836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7945    1.1207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4031   -1.5646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1828   -1.3989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6004    2.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7945    2.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6142   -0.1017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -1.1857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1289   -1.9838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0719   -3.8659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6117   -1.9173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  2  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 13  1  0  0  0  0
  3 20  1  0  0  0  0
  4 14  1  0  0  0  0
  4 31  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  2  0  0  0  0
  7 40  1  0  0  0  0
  8 41  1  0  0  0  0
 10 22  2  0  0  0  0
 16 11  1  1  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 18  1  0  0  0  0
 12 22  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  1  1  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 19 21  2  0  0  0  0
 19 32  1  0  0  0  0
 20 23  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69589074

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
589

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzPAIAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDFAIAoQAPQAAPFyITIMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2S,5S)-4-allyloxy-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
[(2S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3-hydroxy-4-prop-2-enoxy-2-oxolanyl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(2<I>S</I>,5<I>S</I>)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-prop-2-enoxyoxolan-2-yl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_NAME>
[(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-prop-2-enoxyoxolan-2-yl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2S,5S)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-prop-2-enoxy-oxolan-2-yl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(2S,5S)-4-allyloxy-5-(2,4-diketopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H17N2O9P/c1-2-5-21-10-9(16)7(6-22-24(18,19)20)23-11(10)14-4-3-8(15)13-12(14)17/h2-4,7,9-11,16H,1,5-6H2,(H,13,15,17)(H2,18,19,20)/t7-,9?,10?,11-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
CYCHUZOQVOMLCK-ZZTAUVCHSA-N

> <PUBCHEM_XLOGP3>
-2.4

> <PUBCHEM_EXACT_MASS>
364.06716712

> <PUBCHEM_MOLECULAR_FORMULA>
C12H17N2O9P

> <PUBCHEM_MOLECULAR_WEIGHT>
364.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CCOC1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CCOC1[C@H](O[C@H](C1O)COP(=O)(O)O)N2C=CC(=O)NC2=O

> <PUBCHEM_CACTVS_TPSA>
155

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
364.06716712

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
16  11  5
11  18  8
11  19  8
12  18  8
12  22  8
15  17  5
19  21  8
21  22  8
13  3  3
14  4  3

$$$$