24451
  -OEChem-06191313122D

 13 10  0     1  0  0  0  0  0999 V2000
    3.4030   -0.4330    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350   -0.4330    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030    1.2990    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2990    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.4330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.6350    0.4330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  1 10  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  CHG  4   3   1   4   1   8  -1   9  -1
M  END
> <PUBCHEM_COMPOUND_CID>
24451

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
143

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAODMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACCAAAAAAAAAAAAAAABAAQAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate

> <PUBCHEM_IUPAC_NAME>
disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
disodium;[oxidanidyl(oxidanyl)phosphoryl] hydrogen phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
GYQBBRRVRKFJRG-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
221.907114

> <PUBCHEM_MOLECULAR_FORMULA>
H2Na2O7P2

> <PUBCHEM_MOLECULAR_WEIGHT>
221.938743

> <PUBCHEM_OPENEYE_CAN_SMILES>
OP(=O)([O-])OP(=O)(O)[O-].[Na+].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
OP(=O)([O-])OP(=O)(O)[O-].[Na+].[Na+]

> <PUBCHEM_CACTVS_TPSA>
130

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
221.907114

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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

$$$$