
  Mrv0541 02231218512D          

  5  4  0  0  0  0            999 V2000
    6.9575   -8.2088    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.7825   -8.2088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5450   -7.4943    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2425   -8.9783    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.3700   -8.9233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
M  CHG  2   3  -1   4  -1
M  END
> <DATABASE_ID>
HMDB00973

> <DATABASE_NAME>
hmdb

> <SMILES>
OP([O-])([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2

> <INCHI_KEY>
NBIIXXVUZAFLBC-UHFFFAOYSA-L

> <FORMULA>
HO4P

> <MOLECULAR_WEIGHT>
95.9793

> <EXACT_MASS>
95.961245032

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.235323289539385

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
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>
83.41999999999999

> <JCHEM_REFRACTIVITY>
12.4085

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
hydrogen phosphate

> <JCHEM_VEBER_RULE>
0

> <HMDB_ID>
HMDB00973

> <GENERIC_NAME>
Hydrogen phosphate

> <SYNONYMS>
Biphosphate; Hydrogen orthophosphate; Hydrogen phosphate; Hydrogen phosphate anion; Hydrogen phosphate dianion; Hydrogen phosphate ion; Monohydrogen phosphate; Phosphate dianion; Phosphate ion; Phosphoric acid ion

$$$$
