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Androstane-3,11,17-triol

PubChem CID: 57396177

Connections displayed (default: 10).
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Compound Synonyms Androstane-3,11,17-triol #, CHEMBL1908026, FNICIUSFFWRLFW-FXKJLIGKSA-N, 5.alpha.-Androstane, 3.beta., 11.alpha., 17.beta.-trihydroxy-
Topological Polar Surface Area 60.7
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 22.0
Isotope Atom Count 0.0
Molecular Complexity 452.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 9.0
Uniprot Id P54855, O75795, P06133, P16662, P22310
Iupac Name (3S,5S,8S,9S,10S,11R,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
Prediction Hob 1.0
Xlogp 3.0
Molecular Formula C19H32O3
Prediction Swissadme 0.0
Inchi Key FNICIUSFFWRLFW-FXKJLIGKSA-N
Fcsp3 1.0
Logs -1.322
Rotatable Bond Count 0.0
Logd 2.889
Compound Name Androstane-3,11,17-triol
Prediction Hob Swissadme 0.0
Exact Mass 308.235
Formal Charge 0.0
Monoisotopic Mass 308.235
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 308.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 9.0
Total Bond Stereocenter Count 0.0
Esol -3.6424644
Inchi InChI=1S/C19H32O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-17,20-22H,3-10H2,1-2H3/t11-,12-,13-,14-,15+,16-,17+,18-,19-/m0/s1
Smiles C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@@H](C[C@]4([C@H]3CC[C@@H]4O)C)O)O
Nring 4.0
Defined Bond Stereocenter Count 0.0