Metabolite 5-alpha androstanediol
- Name
- 5-alpha androstanediol
- Description
- Not Available
- Structure
Structure for 5-alpha androstanediol
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 292.463
Monoisotopic: 292.24023027 - Chemical Formula
- C19H32O2
- InChI Key
- CBMYJHIOYJEBSB-DYSINSMMSA-N
- InChI
- InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13?,14-,15-,16-,17-,18-,19-/m0/s1
- IUPAC Name
- (1S,3aS,3bR,5aS,9aS,9bS,11aS)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-1,7-diol
- SMILES
- [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(O)CC[C@]12C
- Reactions
- Testosterone Dihydrotestosterone
- Dihydrotestosterone 5-alpha androstanedione
- Dihydrotestosterone 5-alpha-Dihydrotestosterone glucuronide
- Dihydrotestosterone 5a-Dihydrotestosterone sulfate
- Dihydrotestosterone 5-alpha androstanediol
- Dihydrotestosterone 5alpha-androstane-3alpha,17beta-diol
- Dihydrotestosterone 5alpha-androstane-3beta,17beta-diol
- Testosterone Androstenedione
- Testosterone Dihydrotestosterone
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 182.20207 predictedDeepCCS 1.0 (2019) [M+H]+ 184.0975 predictedDeepCCS 1.0 (2019) [M+Na]+ 190.07639 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 392817
- Predicted Properties
Property Value Source Water Solubility 0.0193 mg/mL ALOGPS logP 3.56 ALOGPS logP 3.2 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 18.3 Chemaxon pKa (Strongest Basic) -0.76 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 40.46 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 84.63 m3·mol-1 Chemaxon Polarizability 35.38 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon