Metabolite Se-methylselenocysteine selenoxide
- Name
- Se-methylselenocysteine selenoxide
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 198.091
Monoisotopic: 198.974765 - Chemical Formula
- C4H9NO3Se
- InChI Key
- WEFKWJANOGARQD-UHFFFAOYSA-N
- InChI
- InChI=1S/C4H9NO3Se/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
- IUPAC Name
- 2-amino-3-methaneseleninylpropanoic acid
- SMILES
- C[Se](=O)CC(N)C(O)=O
- Reactions
- Selenious acid Hydrogen Selenide
- Hydrogen Selenide Methyl-selenol
- Methyl-selenol Dimethyl selenide
- Dimethyl selenide Trimethylselenonium
- Methyl-selenol Dimethyl selenide
- Hydrogen Selenide Selenocysteine
- Selenocysteine Methyl-selenol
- Selenocysteine Se-methylselenocysteine selenoxide
- Se-methylselenocysteine selenoxide Methyl selenic acid
- Hydrogen Selenide Selenophosphate
- Hydrogen Selenide Methyl-selenol
- Selenious acid Hydrogen Selenide
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 127.82016 predictedDeepCCS 1.0 (2019) [M+H]+ 131.38643 predictedDeepCCS 1.0 (2019) [M+Na]+ 139.96886 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 57475199
- Predicted Properties
Property Value Source Water Solubility 201.0 mg/mL ALOGPS logP -3 ALOGPS logP -4.3 Chemaxon logS 0.01 ALOGPS pKa (Strongest Acidic) 1.51 Chemaxon pKa (Strongest Basic) 8.24 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 80.39 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 39.98 m3·mol-1 Chemaxon Polarizability 13.99 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon