Mrv0541 02241216322D          

  7  4  0  0  0  0            999 V2000
    1.9384   -0.8246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9384   -0.0004    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.7634   -0.0004    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1134   -0.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9384    0.8246    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0309   -0.1646    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -2.7634   -0.1646    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  CHG  4   3  -1   5  -1   6   1   7   1
M  END
> <DATABASE_ID>
FDB013359

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2

> <INCHI_KEY>
BNIILDVGGAEEIG-UHFFFAOYSA-L

> <FORMULA>
HNa2O4P

> <MOLECULAR_WEIGHT>
141.9588

> <EXACT_MASS>
141.940784382

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.2347000379981

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium hydrogen phosphate

> <JCHEM_LOGP>
-1.0201038226666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.951626889535468

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7961261340181292

> <JCHEM_POLAR_SURFACE_AREA>
83.42

> <JCHEM_REFRACTIVITY>
12.4085

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
disodium hydrogen phosphate

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB013359

> <GENERIC_NAME>
Disodium phosphate

$$$$