Mrv0541 02241217202D          

  8  4  0  0  0  0            999 V2000
    1.1550    0.1242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550    0.9483    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9800    0.9483    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1550    1.7733    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3300    0.9483    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.9800    0.8658    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -1.9800   -0.2883    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -1.9800   -1.7733    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  6   3  -1   4  -1   5  -1   6   1   7   1   8   1
M  END
> <DATABASE_ID>
FDB013349

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/3Na.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3

> <INCHI_KEY>
RYFMWSXOAZQYPI-UHFFFAOYSA-K

> <FORMULA>
Na3O4P

> <MOLECULAR_WEIGHT>
163.9407

> <EXACT_MASS>
163.922729025

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
4.932836023261143

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trisodium 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>
86.25

> <JCHEM_REFRACTIVITY>
11.2868

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
trisodium phosphate

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB013349

> <GENERIC_NAME>
Sodium phosphate (Na3PO4)

$$$$