71295921
  -OEChem-05102422032D

 34 33  0     1  0  0  0  0  0999 V2000
    3.7226   -2.7694    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.5415   -4.4920    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5884    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.2126   -0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3158   -1.8559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6435    0.2132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4859   -1.7514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1357    1.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1293   -3.6830    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8090   -3.1762    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6361   -2.3627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4036    4.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4036    1.4920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2696    2.9920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9036   -1.0469    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5946   -0.0958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9036   -1.0469    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4036    0.4920    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4914   -1.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2696    1.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5376    1.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5376    2.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4036    3.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1851   -1.5993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4976    0.5166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5160   -0.9499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9560    0.7735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9341   -2.1277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6623   -2.4519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1828   -0.2016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0006    1.6820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8504   -2.2529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8066    3.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0006    3.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  2  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
 15  5  1  1  0  0  0
 16  6  1  1  0  0  0
  6 30  1  0  0  0  0
  7 19  1  0  0  0  0
  7 32  1  0  0  0  0
  8 20  2  0  0  0  0
 12 23  2  0  0  0  0
 18 13  1  6  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 20  1  0  0  0  0
 14 23  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 24  1  0  0  0  0
 16 18  1  0  0  0  0
 16 25  1  0  0  0  0
 17 19  1  6  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
 21 22  2  0  0  0  0
 21 31  1  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
M  CHG  4   2   1   3   1   9  -1  10  -1
M  END
> <PUBCHEM_COMPOUND_CID>
71295921

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
506

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzPDIAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
disodium;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] phosphate

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
disodium;[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H13N2O9P.2Na/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15;;/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18);;/q;2*+1/p-2/t4-,6-,7-,8-;;/m1../s1

> <PUBCHEM_IUPAC_INCHIKEY>
HJQGLDGSQSMKFD-WFIJOQBCSA-L

> <PUBCHEM_EXACT_MASS>
367.99975549

> <PUBCHEM_MOLECULAR_FORMULA>
C9H11N2Na2O9P

> <PUBCHEM_MOLECULAR_WEIGHT>
368.14

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)OP(=O)([O-])[O-])O.[Na+].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)([O-])[O-])O.[Na+].[Na+]

> <PUBCHEM_CACTVS_TPSA>
172

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
367.99975549

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
18  13  6
13  20  8
13  21  8
14  20  8
14  23  8
17  19  6
21  22  8
22  23  8
15  5  5
16  6  5

$$$$