64968
  -OEChem-10101305032D

 46 47  0     1  0  0  0  0  0999 V2000
    6.4021   -2.4172    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    7.9844   -3.1217    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    9.5668   -3.8262    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    0.0474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443   -1.7127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144   -1.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9899   -3.2262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2112   -1.8294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5931   -3.0050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9790   -3.0171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0890   -4.1162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8799   -2.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1545   -4.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3758   -3.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7577   -4.4139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -0.9037    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2320   -0.9037    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9230    0.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6352    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8198   -1.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5135   -1.4561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8444   -0.8067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130    0.5843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566   -0.2048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2845    0.9166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2626   -1.9845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9907   -2.3087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0277   -1.6479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.8252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.4452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    3.0982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.9452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    4.1721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1464   -1.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5874   -4.4806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3110   -2.6218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7711   -4.5704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  2  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  2  0  0  0  0
  4 21  1  0  0  0  0
  4 23  1  0  0  0  0
 20  5  1  1  0  0  0
  5 37  1  0  0  0  0
  6 24  1  0  0  0  0
  7 26  2  0  0  0  0
  9 43  1  0  0  0  0
 11 28  2  0  0  0  0
 13 44  1  0  0  0  0
 15 46  1  0  0  0  0
 16 45  1  0  0  0  0
 23 18  1  6  0  0  0
 18 25  1  0  0  0  0
 18 26  1  0  0  0  0
 19 26  1  0  0  0  0
 19 28  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 30  1  0  0  0  0
 21 24  1  6  0  0  0
 21 31  1  0  0  0  0
 22 23  1  0  0  0  0
 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 34  1  0  0  0  0
 24 35  1  0  0  0  0
 24 36  1  0  0  0  0
 25 27  2  0  0  0  0
 25 38  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 40  1  0  0  0  0
 29 41  1  0  0  0  0
 29 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
64968

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
853

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
14

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzPAMAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAQCCAADBThgAYDAAPABxCIQgFWUICAAAAAAAAAAAEIAECBEAIAgQAOQAAPByIDAMCwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
NHVNXKFIZYSCEB-XLPZGREQSA-N

> <PUBCHEM_XLOGP3>
-5

> <PUBCHEM_EXACT_MASS>
481.989263

> <PUBCHEM_MOLECULAR_FORMULA>
C10H17N2O14P3

> <PUBCHEM_MOLECULAR_WEIGHT>
482.168266

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

> <PUBCHEM_CACTVS_TPSA>
239

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
481.989263

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
23  18  6
18  25  8
18  26  8
19  26  8
19  28  8
21  24  6
25  27  8
27  28  8
20  5  5

$$$$