-
Name
5BETA-ANDROSTAN-3BETA-OL-17-ONE
- EINECS
- CAS No. 571-31-3
- Article Data68
- CAS DataBase
- Density 1.085 g/cm3
- Solubility
- Melting Point 154-156 ºC
- Formula C19H30O2
- Boiling Point 413.1 °C at 760 mmHg
- Molecular Weight 290.446
- Flash Point 176.4 °C
- Transport Information
- Appearance white powder
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 5b-Androstan-17-one, 3b-hydroxy- (8CI);3b-Etiocholanolone;3b-Hydroxy-17-oxo-5b-androstane;3b-Hydroxy-5b-androstan-17-one;3b-Hydroxy-5b-androstane-17-one;3b-Hydroxyetiocholan-17-one;5b-Androstan-3b-ol-17-one;5b-Androstane-3b-ol-17-one;5b-Epiandrosterone;Epiaetiocholanolone;Epietiocholanolone;Etiocholan-3b-ol-17-one;NSC 62996;epi-5b-Androsterone;b-Etiocholanolone;
- PSA 37.30000
- LogP 3.95910
Androstan-17-one,3-hydroxy-, (3b,5b)- Specification
The Androstan-17-one,3-hydroxy-, (3b,5b)-, with the CAS registry number 571-31-3, is also known as 3b-Hydroxy-5b-androstan-17-one. This chemical's molecular formula is C19H30O2 and molecular weight is 290.4403. What's more, its systematic name is (3β,5β)-3-Hydroxyandrostan-17-one.
Physical properties about Androstan-17-one,3-hydroxy-, (3b,5b)- are: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.536; (8)Molar Refractivity: 83.49 cm3; (9)Molar Volume: 267.6 cm3; (10)Polarizability: 33.1×10-24cm3; (11)Surface Tension: 41.1 dyne/cm; (12)Density: 1.085 g/cm3; (13)Flash Point: 176.4 °C; (14)Enthalpy of Vaporization: 76.93 kJ/mol; (15)Boiling Point: 413.1 °C at 760 mmHg; (16)Vapour Pressure: 1.5E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2[C@]1(CC[C@H]3[C@H]([C@@H]1CC2)CC[C@@H]4C[C@@H](O)CC[C@]34C)C
(2) InChI: InChI=1/C19H30O2/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/h12-16,20H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,18+,19+/m1/s1
(3) InChIKey: QGXBDMJGAMFCBF-XRJZGPCZBX
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