Mrv1652312161619022D          

  8  4  0  0  0  0            999 V2000
   -2.8285    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1785    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1785    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.1785   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0035    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3535    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8285    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -0.4714    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
M  CHG  4   5  -1   6  -1   7   1   8   1
M  END
> <DATABASE_ID>
DBSALT001973

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/2Na.H3O4P.H2O/c;;1-5(2,3)4;/h;;(H3,1,2,3,4);1H2/q2*+1;;/p-2

> <INCHI_KEY>
LVXHNCUCBXIIPE-UHFFFAOYSA-L

> <FORMULA>
H3Na2O5P

> <MOLECULAR_WEIGHT>
159.972

> <EXACT_MASS>
159.95134875

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
5.235245052039284

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium hydrate 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>
1.7961261340181318

> <JCHEM_POLAR_SURFACE_AREA>
83.42

> <JCHEM_REFRACTIVITY>
12.4085

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
disodium hydrate hydrogen phosphate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001973

> <NAME>
Sodium phosphate, dibasic, monohydrate

> <DRUG_DRUGBANK_ID>
DB14502

> <DRUG_NAME>
Sodium phosphate, dibasic

> <CAS_NUMBER>
118830-14-1

> <UNII>
BWZ7K44R51

$$$$