Mrv1652312161619032D          

  9  4  0  0  0  0            999 V2000
   -0.3535    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0035    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3535    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3535   -0.8250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3535   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4714   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1785   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2964   -0.8250    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -2.0035   -0.8250    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  CHG  4   6  -1   7  -1   8   1   9   1
M  END
> <DATABASE_ID>
DBSALT001974

> <DATABASE_NAME>
drugbank

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

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

> <INCHI_KEY>
KDQPSPMLNJTZAL-UHFFFAOYSA-L

> <FORMULA>
H5Na2O6P

> <MOLECULAR_WEIGHT>
177.987

> <EXACT_MASS>
177.96191344

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
5.235245052039284

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium dihydrate 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 dihydrate hydrogen phosphate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001974

> <NAME>
Sodium phosphate, dibasic dihydrate

> <DRUG_DRUGBANK_ID>
DB14502

> <DRUG_NAME>
Sodium phosphate, dibasic

> <CAS_NUMBER>
10028-24-7

> <UNII>
94255I6E2T

$$$$