Mrv1909 03022021042D          

  7  4  0  0  0  0            999 V2000
   -0.2435   -0.7033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2435    0.1216    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.5814    0.1216    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.2435    0.9466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0685    0.1216    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2237   -0.9466    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.2237   -0.7967    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  1  2  1  0  0  0  0
M  CHG  4   3  -1   5  -1   6   1   7   1
M  ISO  1   2  32
M  END
> <DATABASE_ID>
DB09370

> <DATABASE_NAME>
drugbank

> <SMILES>
[Na+].[Na+].O[32P]([O-])([O-])=O

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

> <INCHI_KEY>
BNIILDVGGAEEIG-JCIGTKTHSA-L

> <FORMULA>
HNa2O4P

> <MOLECULAR_WEIGHT>
142.957

> <EXACT_MASS>
142.94092924

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.6909402832708205

> <JCHEM_AVERAGE_POLARIZABILITY>
5.241595427037025

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium hydrogen (32P)phosphate

> <JCHEM_LOGP>
-1.0201038226666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.951626889535468

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.796126134018132

> <JCHEM_POLAR_SURFACE_AREA>
83.42

> <JCHEM_REFRACTIVITY>
12.4085

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
rabeximod

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09370

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Sodium phosphate P 32

> <SYNONYMS>
Disodium hydrogen phosphate (32P); Sodium phosphate (32P); Sodium phosphate 32P; Sodium phosphate P 32; Sodium phosphate P-32

$$$$