65374
  -OEChem-06302404482D

 37 38  0     1  0  0  0  0  0999 V2000
    7.7469   -3.1217    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.8858   -0.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1591   -2.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8089    0.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768    3.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3347   -3.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5559   -2.5339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9379   -3.7094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768    0.9307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -2.4172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9428    2.4307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -2.3126    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2081    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.5768   -1.6082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5768   -1.6082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2678   -0.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768   -0.0693    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1646   -2.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2108    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9428    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2108    2.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768    2.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3448    2.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9645   -1.5112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1892   -1.5112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9578   -0.1202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7014   -0.9093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244    0.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6074   -2.6890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3355   -3.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6739    1.1207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4798    2.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6548    3.4676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8078    3.2407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0348    2.3938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9513   -3.8659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4911   -1.9173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  2 15  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 20  2  0  0  0  0
  5 22  2  0  0  0  0
  6 36  1  0  0  0  0
  7 37  1  0  0  0  0
 17  9  1  6  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 14 10  1  1  0  0  0
 11 20  1  0  0  0  0
 11 22  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 18  1  6  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 21  2  0  0  0  0
 19 31  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 33  1  0  0  0  0
 23 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  CHG  2  12   1  13  -1
M  END
> <PUBCHEM_COMPOUND_CID>
65374

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
640

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuAIAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAYCCAADDzhgAYDAAPABRCKQgFWUICAAAAAAAAAAAEIAECDAAIAwQAPAAAOByICAMCwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
OIFWQOKDSPDILA-XLPZGREQSA-N

> <PUBCHEM_XLOGP3>
-1

> <PUBCHEM_EXACT_MASS>
347.06308480

> <PUBCHEM_MOLECULAR_FORMULA>
C10H14N5O7P

> <PUBCHEM_MOLECULAR_WEIGHT>
347.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)N=[N+]=[N-]

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

> <PUBCHEM_CACTVS_TPSA>
140

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
347.06308480

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
14  10  5
11  20  8
11  22  8
15  18  6
19  21  8
21  22  8
17  9  6
9  19  8
9  20  8

$$$$
