Fosmidomycin sodiumProduct ingredient for Fosmidomycin

Name
Fosmidomycin sodium
Drug Entry
Fosmidomycin
Accession Number
DBSALT002936
Structure
Synonyms
Not Available
External IDs
FR 31564
UNII
IYI1EW66CX
CAS Number
66508-37-0
Weight
Average: 205.082
Monoisotopic: 205.01160367
Chemical Formula
C4H9NNaO5P
InChI Key
ZZPUYRHMTGOTEU-UHFFFAOYSA-M
InChI
InChI=1S/C4H10NO5P.Na/c6-4-5(7)2-1-3-11(8,9)10;/h4,7H,1-3H2,(H2,8,9,10);/q;+1/p-1
IUPAC Name
sodium hydrogen [3-(N-hydroxyformamido)propyl]phosphonate
SMILES
[Na+].ON(CCCP(O)([O-])=O)C=O
ChemSpider
150179
BindingDB
50028309
ChEMBL
CHEMBL2164257
Predicted Properties
PropertyValueSource
Water Solubility35.9 mg/mLALOGPS
logP-1.3ALOGPS
logP-2.2Chemaxon
logS-0.76ALOGPS
pKa (Strongest Acidic)1.81Chemaxon
pKa (Strongest Basic)-5.6Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area100.9 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity35.71 m3·mol-1Chemaxon
Polarizability14.73 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon