chempirical

Fosfomycin calcium

C3H5CaO4PCAS 26016-98-8176.12 g/mol

Open in Covalent MOL file
OPO−O−OCa2+
EpoxideEtherPhosphonate

Properties

Molecular formula
C3H5CaO4P
Molar mass
176.12 g/mol
Exact mass
175.9551 Da
logP
-0.47Crippen estimate
Polar surface area
70.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
26016-98-8
SMILES
C[C@@H]1O[C@@H]1P([O-])([O-])=O.[Ca+2]
InChIKey
XXIDJCLHAMGLRU-LJUKVTEVSA-N
InChI
InChI=1S/C3H7O4P.Ca/c1-2-3(7-2)8(4,5)6;/h2-3H,1H3,(H2,4,5,6);/t2-,3+;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Phosphonic acid, P-[(2R,3S)-3-methyl-2-oxiranyl]-, calcium salt (1:1)
  • Fosmicin
  • Phosphonomycin calcium salt
  • Levo-phosphonomycin calcium salt
  • Phosphonic acid, (3-methyloxiranyl)-, calcium salt (1:1), (2R-cis)-
  • Phosphonic acid, (1,2-epoxypropyl)-, calcium salt (1:1), (1R,2S)-(-)-
  • Phosphonic acid, [(2R,3S)-3-methyloxiranyl]-, calcium salt (1:1)
  • Calcium phosphonomycin
  • Calcium fosfomycin
  • Fosfomycin calcium salt
  • Fosfomycin calcium salt (1:1)
  • Calcium phosphomycin

Work with Fosfomycin calcium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fosfomycin sodium26016-99-977 % similar Fosfomycin23155-02-443 % similar Fosfomycin tromethamine78964-85-932 % similar Calcium pyrophosphate7790-76-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook