68824382
  -OEChem-05102412062D

 32 33  0     1  0  0  0  0  0999 V2000
    6.8909   -3.0694    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    5.0298   -0.6048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -2.3649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -2.2604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9529    0.9829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    3.9830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8854   -2.9649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4842   -3.9830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.9829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    2.4830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118   -0.6048    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7208   -1.5559    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2208   -0.0171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7208   -1.5559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3086   -2.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    1.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    1.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    2.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    2.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3148    0.0075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0023   -2.1083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684    0.2644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -1.4589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -2.6367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -2.9609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -2.9313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8179    1.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238    2.7930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8179    2.7930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2499   -3.4665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  2  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 12  1  0  0  0  0
  3 27  1  0  0  0  0
  4 13  1  0  0  0  0
  4 28  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  2  0  0  0  0
  7 20  2  0  0  0  0
  8 32  1  0  0  0  0
 14 10  1  1  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 17  1  0  0  0  0
 11 20  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  1  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 18 19  2  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_CID>
68824382

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
469

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzPAIAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-oxo-phosphonium

> <PUBCHEM_IUPAC_CAS_NAME>
[(2S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxy-oxophosphonium

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(2<I>S</I>,5<I>S</I>)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium

> <PUBCHEM_IUPAC_NAME>
[(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2S,5S)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-oxidanylidene-phosphanium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(2S,5S)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-keto-phosphonium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H11N2O8P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16)17/h1-2,4,6-8,13-14H,3H2,(H-,10,12,15,16,17)/p+1/t4-,6?,7?,8-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ZQOOIGMPVJIWJF-VEPOLHSPSA-O

> <PUBCHEM_XLOGP3>
-2.4

> <PUBCHEM_EXACT_MASS>
307.03312734

> <PUBCHEM_MOLECULAR_FORMULA>
C9H12N2O8P+

> <PUBCHEM_MOLECULAR_WEIGHT>
307.17

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO[P+](=O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CN(C(=O)NC1=O)[C@@H]2C(C([C@@H](O2)CO[P+](=O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
146

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
307.03312734

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
14  10  5
10  17  8
10  18  8
11  17  8
11  20  8
15  16  5
18  19  8
19  20  8
12  3  3
13  4  3

$$$$