Metabolite L-cyclophosphamide
- Name
- L-cyclophosphamide
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 261.08
Monoisotopic: 260.0248201 - Chemical Formula
- C7H15Cl2N2O2P
- InChI Key
- CMSMOCZEIVJLDB-CQSZACIVSA-N
- InChI
- InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)/t14-/m1/s1
- IUPAC Name
- (2R)-2-[bis(2-chloroethyl)amino]-1,3,2lambda5-oxazaphosphinan-2-one
- SMILES
- [H]N1C([H])([H])C([H])([H])C([H])([H])O[P@@]1(=O)N(C([H])([H])C([H])([H])Cl)C([H])([H])C([H])([H])Cl
- Reactions
- Trofosfamide L-cyclophosphamide
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 148.6314 predictedDeepCCS 1.0 (2019) [M+H]+ 150.52681 predictedDeepCCS 1.0 (2019) [M+Na]+ 156.36284 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 7832292
- ZINC
- ZINC000000155694
- Predicted Properties
Property Value Source Water Solubility 15.1 mg/mL ALOGPS logP 0.76 ALOGPS logP 0.097 Chemaxon logS -1.2 ALOGPS pKa (Strongest Acidic) 13.48 Chemaxon pKa (Strongest Basic) 0.02 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 41.57 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 58.48 m3·mol-1 Chemaxon Polarizability 23.98 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon