Mrv1652312161620102D          

 14  4  0  0  0  0            999 V2000
   -2.8285    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4714    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8857    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8285    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4714    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8857    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8285   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4714   -1.6500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.8285   -1.6500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.1785   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1785   -1.6500    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
    0.3535   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0035   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  CHG  4   8   1   9   1  13  -1  14  -1
M  END
> <DATABASE_ID>
DBSALT001977

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/2Na.H3O4P.7H2O/c;;1-5(2,3)4;;;;;;;/h;;(H3,1,2,3,4);7*1H2/q2*+1;;;;;;;;/p-2

> <INCHI_KEY>
PYLIXCKOHOHGKQ-UHFFFAOYSA-L

> <FORMULA>
H15Na2O11P

> <MOLECULAR_WEIGHT>
268.062

> <EXACT_MASS>
268.01473686

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
5.235245052039284

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium heptahydrate 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 heptahydrate hydrogen phosphate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001977

> <NAME>
Sodium phosphate, dibasic, heptahydrate

> <DRUG_DRUGBANK_ID>
DB14502

> <DRUG_NAME>
Sodium phosphate, dibasic

> <CAS_NUMBER>
7782-85-6

> <UNII>
70WT22SF4B

$$$$