Mrv1909 11262014532D          

 12  9  0  0  0  0            999 V2000
   -0.9552    1.1032    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9552    0.2781    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552   -0.5469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1301    0.2781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2823   -0.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1032   -0.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5161    0.2778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5164   -1.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3372   -1.1538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7803    0.2840    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4327    1.1538    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   -2.3372    0.2531    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  CHG  4   1  -1  10  -1  11   1  12   1
M  END
> <DATABASE_ID>
DB15948

> <DATABASE_NAME>
drugbank

> <SMILES>
[K+].[K+].OCC(O)COP([O-])([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C3H9O6P.2K/c4-1-3(5)2-9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2

> <INCHI_KEY>
CHFUHGDBYUITQJ-UHFFFAOYSA-L

> <FORMULA>
C3H7K2O6P

> <MOLECULAR_WEIGHT>
248.253

> <EXACT_MASS>
247.92543792

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.8541039603400151

> <JCHEM_AVERAGE_POLARIZABILITY>
12.928585033449941

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dipotassium 3-(phosphonatooxy)propane-1,2-diol

> <ALOGPS_LOGP>
-1.54

> <JCHEM_LOGP>
-1.9625800539999998

> <ALOGPS_LOGS>
-0.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.533552281214722

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5077547010974535

> <JCHEM_PKA_STRONGEST_BASIC>
-2.968964717967575

> <JCHEM_POLAR_SURFACE_AREA>
112.88000000000001

> <JCHEM_REFRACTIVITY>
29.145599999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.46e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pitofenone

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB15948

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Potassium glycerophosphate

> <SYNONYMS>
Potassium glycerophosphate anhydrous

$$$$