Metabolite 5-alpha androstanedione
- Name
- 5-alpha androstanedione
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 288.431
Monoisotopic: 288.208930142 - Chemical Formula
- C19H28O2
- InChI Key
- RAJWOBJTTGJROA-RNQTWYFASA-N
- InChI
- InChI=1S/C19H28O2/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/h12,14-16H,3-11H2,1-2H3/t12?,14-,15-,16-,18-,19-/m0/s1
- IUPAC Name
- (3aS,3bR,9aS,9bS,11aS)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-1,7-dione
- SMILES
- [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(=O)CC[C@]12C
- Reactions
- 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
- 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
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 168.77411 predictedDeepCCS 1.0 (2019) [M+H]+ 171.14812 predictedDeepCCS 1.0 (2019) [M+Na]+ 177.40033 predictedDeepCCS 1.0 (2019) - External Links
- Predicted Properties
Property Value Source Water Solubility 0.00739 mg/mL ALOGPS logP 3.4 ALOGPS logP 3.97 Chemaxon logS -4.6 ALOGPS pKa (Strongest Basic) -7.1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 34.14 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 82.78 m3·mol-1 Chemaxon Polarizability 33.83 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon