Mrv1652312161619062D          

 19  4  0  0  0  0            999 V2000
   -1.6730    1.6501    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.9479    1.6794    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.5479    0.5525    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.1697    0.9668    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1697    1.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8841    0.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3818    0.1699    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.6210   -1.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1058   -1.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1058   -1.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8635   -1.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8635   -1.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6210   -1.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6210   -0.8973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1058   -0.8973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1058   -0.8973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8635   -0.8973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8635   -0.8973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6210   -0.8973    0.0000 O   0  0  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   1   1   2   1   3  -1   7  -1
M  END
> <DATABASE_ID>
DBSALT001975

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/2Na.H3O4P.12H2O/c;;1-5(2,3)4;;;;;;;;;;;;/h;;(H3,1,2,3,4);12*1H2/q2*+1;;;;;;;;;;;;;/p-2

> <INCHI_KEY>
DGLRDKLJZLEJCY-UHFFFAOYSA-L

> <FORMULA>
H25Na2O16P

> <MOLECULAR_WEIGHT>
358.137

> <EXACT_MASS>
358.06756028

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
5.234683174537686

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium dodecahydrate 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 dodecahydrate hydrogen phosphate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001975

> <NAME>
Sodium phosphate, dibasic dodecahydrate

> <DRUG_DRUGBANK_ID>
DB14502

> <DRUG_NAME>
Sodium phosphate, dibasic

> <CAS_NUMBER>
10039-32-4

> <UNII>
E1W4N241FO

$$$$