Basic information
- CAS
1963-03-7- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2O- InChIKey
QADHLRWLCPCEKT-SLMGBJJTSA-N- Molecular formula
- C19H30O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.2245802
Names & identifiers
- Preferred name
- Androst-5-ene-3beta,17alpha-diol
- IUPAC
- (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
- English name
- androst-5-ene-3-beta,17-alpha-diol
- Molecular formula
- C19H30O2
- Molecular weight
- 290.4403
Names & synonyms
1963-03-7Androst-5-ene-3beta,17alpha-diolAndrost-5-ene-3-beta,17-alpha-diol831IQ649FI(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diolAndrost-5-ene-3.beta.,17.alpha.-diolAndrost-5-ene-3,17-diol, (3.beta.,17.alpha.)-(17alpha)-androstenediolAndrostenediol, (17alpha)-UNII-831IQ649FISCHEMBL2186247?5-Androstene-3?,17?-diol
Show more names
?5-Androstene-3β,17α-diol5-ANDROSTEN-3β, 17α-DIOLAndrost-5-ene-3β,17α-diolAndrost-5-ene-3,17-diol, (3β,17α)-delta5-Androstene-3beta,17alpha-diol
CHEMBL1079445QADHLRWLCPCEKT-SLMGBJJTSA-NDTXSID701366335EINECS 217-804-4Androst-5-en-3-beta,17-alpha-diolAndrost-5-en-3.beta.,17.alpha.-diolANDROSTENEDIOL, (17.ALPHA.)-(1R,3aS,3bR,7S,9aR,9bS,11aS)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 470
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 207 · 207-208 °C
- Boiling point
- 428.4 · 428.4±38.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 15.01 · 15.01±0.70(Predicted)
- FDA UNII
- 831 IQ649FI · 831IQ649FI
Chemistry & industry
Applications
UsesA metabolite of 5-Androstenediol.
Suppliers8 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
深圳菲斯生物科技有限公司0755-83725681-603
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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