Metabolite Ifosforamide Aziridinium
- Name
- Ifosforamide Aziridinium
- Description
- Not Available
- Structure
Structure for Ifosforamide Aziridinium
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 185.569
Monoisotopic: 185.024666825 - Chemical Formula
- C4H11ClN2O2P
- InChI Key
- NAFVGKNCETZZFN-UHFFFAOYSA-O
- InChI
- InChI=1S/C4H10ClN2O2P/c5-1-2-6-10(8,9)7-3-4-7/h1-4H2,(H2,6,8,9)/p+1
- IUPAC Name
- 1-{[(2-chloroethyl)amino](hydroxy)phosphoryl}aziridin-1-ium
- SMILES
- OP(=O)(NCCCl)[NH+]1CC1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 129.26624 predictedDeepCCS 1.0 (2019) [M+H]+ 132.59113 predictedDeepCCS 1.0 (2019) [M+Na]+ 141.82556 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 10.6 mg/mL ALOGPS logP -0.84 ALOGPS logP -1 Chemaxon logS -1.3 ALOGPS pKa (Strongest Acidic) 5.31 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 53.77 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 40.59 m3·mol-1 Chemaxon Polarizability 16.24 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon