Metabolite Phosphoramide Aziridinium
- Name
- Phosphoramide Aziridinium
- Description
- Not Available
- Structure
Structure for Phosphoramide Aziridinium
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 185.569
Monoisotopic: 185.024666825 - Chemical Formula
- C4H11ClN2O2P
- InChI Key
- AXYIDNWUNNCROG-UHFFFAOYSA-N
- InChI
- InChI=1S/C4H11ClN2O2P/c5-1-2-7(3-4-7)10(6,8)9/h1-4H2,(H3,6,8,9)
- IUPAC Name
- amino[1-(2-chloroethyl)-1lambda4-aziridin-1-yl]phosphinic acid
- SMILES
- NP(O)(=O)[N]1(CCCl)CC1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 114.91049 predictedDeepCCS 1.0 (2019) [M+H]+ 118.74183 predictedDeepCCS 1.0 (2019) [M+Na]+ 127.915695 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 20.9 mg/mL ALOGPS logP -0.77 ALOGPS logS -0.95 ALOGPS Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 63.32 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 41.59 m3·mol-1 Chemaxon Polarizability 15.9 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon