Metabolite 5alpha-androstane-3alpha,17beta-diol
- Name
- 5alpha-androstane-3alpha,17beta-diol
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 292.463
Monoisotopic: 292.24023027 - Chemical Formula
- C19H32O2
- InChI Key
- CBMYJHIOYJEBSB-UYILJUQYSA-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+/m1/s1
- IUPAC Name
- (1S,7R,9aS,11aS)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-1,7-diol
- SMILES
- C[C@]12CCC3C(CCC4C[C@H](O)CC[C@]34C)C1CC[C@@H]2O
- Reactions
- Testosterone Dihydrotestosterone
- Dihydrotestosterone 5-alpha androstanedione
- 5-alpha androstanedione 5-alpha androsterone
- 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
- Dihydrotestosterone 5-alpha androstanedione
- Testosterone Androstenedione
- Androstenedione Estrone
- Estrone Estradiol
- Androstenedione 5-alpha androstanedione
- 5-alpha androstanedione 5-alpha androsterone
- 5-alpha androstanedione Dihydrotestosterone
- 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
- Androstenedione Estrone
- Testosterone Dihydrotestosterone
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 173.50746 predictedDeepCCS 1.0 (2019) [M+H]+ 175.86546 predictedDeepCCS 1.0 (2019) [M+Na]+ 182.22314 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- 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 35.26 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