9700
  -OEChem-05302104162D

 36 37  0     1  0  0  0  0  0999 V2000
    6.4021   -3.1217    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -0.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443   -2.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144   -2.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9899   -3.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2112   -2.5339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5931   -3.7094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -1.6082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2320   -1.6082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9230   -0.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0693    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8198   -2.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5135   -2.1606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8444   -1.5112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2845    0.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130   -0.1202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566   -0.9093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2626   -2.6890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9907   -3.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0277   -2.3524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.1207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.4676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.2407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.3938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6065   -3.8659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1464   -1.9173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  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 13  1  0  0  0  0
  2 15  1  0  0  0  0
 12  3  1  1  0  0  0
  3 29  1  0  0  0  0
  4 16  1  0  0  0  0
  5 18  2  0  0  0  0
  6 20  2  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
 15 10  1  6  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 18  1  0  0  0  0
 11 20  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 13 16  1  6  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 24  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 19  2  0  0  0  0
 17 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9700

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
529

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzPAIAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAQCCAADBThgAYDAAPABxCIQgFWUICAAAAAAAAAAAEIAECBEAIAgQAOQAAPByIDAMCwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
GYOZYWVXFNDGLU-XLPZGREQSA-N

> <PUBCHEM_XLOGP3>
-2.8

> <PUBCHEM_EXACT_MASS>
322.05660244

> <PUBCHEM_MOLECULAR_FORMULA>
C10H15N2O8P

> <PUBCHEM_MOLECULAR_WEIGHT>
322.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O

> <PUBCHEM_CACTVS_TPSA>
146

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
322.05660244

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
15  10  6
10  17  8
10  18  8
11  18  8
11  20  8
13  16  6
17  19  8
19  20  8
12  3  5

$$$$
