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Basic Information
CAS No.: 15360-53-9
Name: 5-BETA-ANDROSTAN-3-ALPHA-OL
Article Data: 35
Molecular Structure:
Molecular Structure of 15360-53-9 (5-BETA-ANDROSTAN-3-ALPHA-OL)
Formula: C19H32O
Molecular Weight: 276.462
Synonyms: 5b-Androstan-3a-ol (6CI,7CI,8CI);(3a,5b)-Androstan-3-ol;3a-Hydroxy-5b-androstane;
Density: 1.019 g/cm3
Boiling Point: 375.9 °C at 760 mmHg
Flash Point: 158.4 °C
PSA: 20.23000
LogP: 4.78010
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Specification

The Androstan-3-ol, (3α,5β)- is an organic compound with the formula C19H32O. The systematic name of this chemical is (3α,5β)-androstan-3-ol. With the CAS registry number 15360-53-9, it is also named as 5β-Androstan-3α-ol.

Physical properties about Androstan-3-ol, (3α,5β)- 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: 33.04×10-24cm3; (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)SMILES: O[C@H]3C[C@H]2CC[C@H]1[C@H]4[C@@](CC[C@@H]1[C@@]2(C)CC3)(C)CCC4
(2)InChI: InChI=1/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+/m1/s1
(3)InChIKey: DJTOLSNIKJIDFF-DLEIETQIBQ
(4)Std. 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+/m1/s1
(5)Std. InChIKey: DJTOLSNIKJIDFF-DLEIETQISA-N