Androstan-3-ol, (3β,5α)- supplier

Name
5ALPHA-ANDROSTAN-3BETA-OL
EINECS 214-952-1
CAS No. 1224-92-6
Article Data35
CAS DataBase
Density 1.019 g/cm³
Solubility DMSO: 14 mg/mL at ≤60 °C, soluble
Melting Point
Formula C₁₉H₃₂O
Boiling Point 375.9 °C at 760 mmHg
Molecular Weight 276.462
Flash Point 158.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5α-Androstan-3β-ol;3β-Hydroxy-5α-androstane;(3β,5α)-Androstan-3-ol;
PSA 20.23000
LogP 4.78010

Androstan-3-ol, (3β,5α)- Specification

The Androstan-3-ol, (3β,5α)-, with the CAS registry number 1224-92-6, is also known as 5α-Androstan-3β-ol. Its EINECS number is 214-952-1. This chemical's molecular formula is C₁₉H₃₂O and molecular weight is 276.46. What's more, its IUPAC name is (3S,5S,8S,9S,10S,13S,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.

Physical properties of Androstan-3-ol, (3β,5α)- are: (1)ACD/LogP: 6.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.37; (4)ACD/LogD (pH 7.4): 6.37; (5)ACD/BCF (pH 5.5): 41186.75; (6)ACD/BCF (pH 7.4): 41186.75; (7)ACD/KOC (pH 5.5): 69956.28; (8)ACD/KOC (pH 7.4): 69956.28; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 83.36 cm³; (15)Molar Volume: 271.1 cm³; (16)Polarizability: 33.04×10^-24 cm³; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.019 g/cm³; (19)Flash Point: 158.4 °C; (20)Enthalpy of Vaporization: 72.13 kJ/mol; (21)Boiling Point: 375.9 °C at 760 mmHg; (22)Vapour Pressure: 3.44E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC12CCCC1C3CCC4CC(CCC4(C3CC2)C)O
(2)Isomeric SMILES: C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC2)C)O
(3)InChI: InChI=1S/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1
(4)InChIKey: DJTOLSNIKJIDFF-LOVVWNRFSA-N

Product Name

5ALPHA-ANDROSTAN-3BETA-OL

Androstan-3-ol, (3β,5α)- Specification

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