Mrv1909 11262104182D          

 10  8  0  0  0  0            999 V2000
   -0.5349    0.3299    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2409   -0.1081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    0.3531    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2594    0.7247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1144    0.3299    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2666   -0.4716    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3129    1.1777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6862    1.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862   -0.6357    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.5107   -1.4229    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  1  1  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  2  0  0  0  0
  4  8  1  1  0  0  0
  2  4  1  0  0  0  0
M  CHG  4   5  -1   6  -1   9   1  10   1
M  END
> <DATABASE_ID>
DBSALT000454

> <DATABASE_NAME>
drugbank

> <SMILES>
[Na+].[Na+].C[C@@H]1O[C@@H]1P([O-])([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C3H7O4P.2Na/c1-2-3(7-2)8(4,5)6;;/h2-3H,1H3,(H2,4,5,6);;/q;2*+1/p-2/t2-,3+;;/m0../s1

> <INCHI_KEY>
QZIQJIKUVJMTDG-JSTPYPERSA-L

> <FORMULA>
C3H5Na2O4P

> <MOLECULAR_WEIGHT>
182.0227

> <EXACT_MASS>
181.97208451

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.2320290852372056

> <JCHEM_AVERAGE_POLARIZABILITY>
10.090645142471278

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium [(2R,3S)-3-methyloxiran-2-yl]phosphonate

> <ALOGPS_LOGP>
-0.50

> <JCHEM_LOGP>
-0.7377748799999998

> <ALOGPS_LOGS>
-0.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.82082800096408

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2504967658604225

> <JCHEM_PKA_STRONGEST_BASIC>
-4.306369310142532

> <JCHEM_POLAR_SURFACE_AREA>
75.72

> <JCHEM_REFRACTIVITY>
23.6303

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.14e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
terbutaline sulfate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT000454

> <NAME>
Fosfomycin sodium

> <DRUG_DRUGBANK_ID>
DB00828

> <DRUG_NAME>
Fosfomycin

> <CAS_NUMBER>
26016-99-9

> <UNII>
97MMO19FNO

$$$$