Mrv0541 02241216362D          

 13  8  0  0  0  0            999 V2000
   -2.7221   -2.2275    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.2471   -1.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2471   -0.2475    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.2471    0.5775    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.5771   -0.2475    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0721   -0.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8971   -0.2475    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.8971   -1.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7221   -0.2475    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8971    0.5775    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.7221   -0.7425    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -2.7221    0.8250    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -2.7221    2.2275    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  CHG  8   1   1   4  -1   5  -1   9  -1  10  -1  11   1  12   1  13   1
M  END
> <DATABASE_ID>
DBSALT001492

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/4Na.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4

> <INCHI_KEY>
FQENQNTWSFEDLI-UHFFFAOYSA-J

> <FORMULA>
Na4O7P2

> <MOLECULAR_WEIGHT>
265.9024

> <EXACT_MASS>
265.871004078

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-2.8815550088546744

> <JCHEM_AVERAGE_POLARIZABILITY>
9.046962814844465

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetrasodium (phosphonatooxy)phosphonate

> <JCHEM_LOGP>
-1.4419023016666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-3

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
3.060391741362254

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7026764435673858

> <JCHEM_POLAR_SURFACE_AREA>
135.61

> <JCHEM_REFRACTIVITY>
21.038000000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001492

> <NAME>
Sodium pyrophosphate

> <DRUG_DRUGBANK_ID>
DB04160

> <DRUG_NAME>
Pyrophosphoric acid

> <CAS_NUMBER>
7722-88-5

> <UNII>
O352864B8Z

$$$$