Mrv1652312161620152D          

  8  4  0  0  0  0            999 V2000
    0.0589    0.8250    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -1.5910    0.8250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4160    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5910    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5910    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7660    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4160    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3160   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
M  CHG  2   1   1   6  -1
M  END
> <DATABASE_ID>
DBSALT001970

> <DATABASE_NAME>
drugbank

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

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

> <INCHI_KEY>
VBJGJHBYWREJQD-UHFFFAOYSA-M

> <FORMULA>
H6NaO6P

> <MOLECULAR_WEIGHT>
156.006

> <EXACT_MASS>
155.97996919

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
5.526950089215875

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium dihydrate 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 dihydrate dihydrogen phosphate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001970

> <NAME>
Sodium phosphate, monobasic, dihydrate

> <DRUG_DRUGBANK_ID>
DB09449

> <DRUG_NAME>
Sodium phosphate, monobasic

> <CAS_NUMBER>
13472-35-0

> <UNII>
5QWK665956

$$$$