Mrv1718009051811112D          

  8  8  0  0  0  0            999 V2000
   -0.8352   -0.4266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0102   -0.4266    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4227    0.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4186    0.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7041   -0.0140    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.7041    0.8109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9176   -0.8109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4186   -0.4266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  6  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00828

> <DATABASE_NAME>
drugbank

> <SMILES>
C[C@@H]1O[C@@H]1P(O)(O)=O

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

> <INCHI_KEY>
YMDXZJFXQJVXBF-STHAYSLISA-N

> <FORMULA>
C3H7O4P

> <MOLECULAR_WEIGHT>
138.059

> <EXACT_MASS>
138.008195224

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
10.802823765292468

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R,3S)-3-methyloxiran-2-yl]phosphonic acid

> <ALOGPS_LOGP>
-0.86

> <JCHEM_LOGP>
-0.7377748799999998

> <ALOGPS_LOGS>
-0.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.82082800096408

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2504967658604222

> <JCHEM_PKA_STRONGEST_BASIC>
-4.306369310142532

> <JCHEM_POLAR_SURFACE_AREA>
70.06

> <JCHEM_REFRACTIVITY>
25.8737

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.69e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fosfomycin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00828

> <SECONDARY_ACCESSION_NUMBERS>
APRD00987

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Fosfomycin

> <SYNONYMS>
(-)-(1R,2S)-(1,2-Epoxypropyl)phosphonic acid; (1R,2S)-epoxypropylphosphonic acid; (2R-cis)-(3-Methyloxiranyl)phosphonic acid; 1R-cis-(1,2-epoxypropyl)phosphonic acid; cis-(1R,2S)-epoxypropylphosphonic acid; FCM; Fosfocina; Fosfomicina; Fosfomycin; Fosfomycine; Fosfomycinum; L-cis-1,2-epoxypropylphosphonic acid; Phosphomycin; Phosphonemycin; Phosphonomycin

> <PRODUCTS>
Fosfomycin Powder for Oral Solution; Fosfomycin Tromethamine; Ivozfo; Jamp-fosfomycin; Monurol

> <INTERNATIONAL_BRANDS>
Veramina

> <SALTS>
Fosfomycin calcium monohydrate; Fosfomycin sodium; Fosfomycin tromethamine

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