Mrv1572004251605302D          

  7  4  0  0  0  0            999 V2000
    0.0000    1.3750    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.2750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.1821    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  2  1  0  0  0  0
  6  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
DBSALT001971

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/Na.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/q+1;;/p-1

> <INCHI_KEY>
BBMHARZCALWXSL-UHFFFAOYSA-M

> <FORMULA>
H4NaO5P

> <MOLECULAR_WEIGHT>
137.991

> <EXACT_MASS>
137.96940451

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
5.525934598627473

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium hydrate dihydrogen 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>
80.59

> <JCHEM_REFRACTIVITY>
13.5302

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
sodium hydrate dihydrogen phosphate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001971

> <NAME>
Sodium phosphate, monobasic, monohydrate

> <DRUG_DRUGBANK_ID>
DB09449

> <DRUG_NAME>
Sodium phosphate, monobasic

> <CAS_NUMBER>
10049-21-5

> <UNII>
593YOG76RN

$$$$