Mrv1718004231813252D          

 12  9  0  0  0  0            999 V2000
    0.0000   -1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.1986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    1.7861    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.9611    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125    2.0881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.6592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3736    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.1986    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.5486    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 10  7  1  0  0  0  0
 10  8  2  0  0  0  0
 10  9  1  0  0  0  0
M  CHG  4   6  -1   7  -1  11   1  12   1
M  END
> <DATABASE_ID>
DB09561

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/C3H9O6P.2Na/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>
GEKBIENFFVFKRG-UHFFFAOYSA-L

> <FORMULA>
C3H7Na2O6P

> <MOLECULAR_WEIGHT>
216.036

> <EXACT_MASS>
215.9775635

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
12.872744891560984

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium 3-(phosphonooxy)propane-1,2-diol

> <ALOGPS_LOGP>
-1.37

> <JCHEM_LOGP>
-1.9625800539999998

> <ALOGPS_LOGS>
-0.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.533552281214722

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5077547010974532

> <JCHEM_PKA_STRONGEST_BASIC>
-2.968964717967575

> <JCHEM_POLAR_SURFACE_AREA>
112.88000000000001

> <JCHEM_REFRACTIVITY>
29.145600000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.15e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
disodium 3-(phosphonooxy)propane-1,2-diol

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09561

> <SECONDARY_ACCESSION_NUMBERS>
DBSALT001586

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Sodium glycerophosphate

> <SYNONYMS>
Disodium glycerol phosphate; Sodium glycerophosphate anhydrous

> <PRODUCTS>
Glycophos; Hemarexin Liquid and Drinkable Ampoules; Kabiven; Olimel 3.3% E; Olimel 4.4% E; Olimel 5.7% E; Olimel 7.6% E; Perikabiven; Periolimel 2.5% E; Smofkabiven; Smofkabiven Extra Nitrogen; Smofkabiven Peripheral; Vitamin and Mineral Supplement - Liq

> <INTERNATIONAL_BRANDS>
Glycophos

> <SALTS>
Sodium glycerophosphate hydrate

$$$$