5a-Androstane-3a,17b-diol supplier

Name
5a-Androstane-3a,17b-diol
EINECS 217-447-4
CAS No. 1852-53-5
Article Data106
CAS DataBase
Density 1.09g/cm³
Solubility
Melting Point 236-236.5 °C
Formula C₁₉H₃₂O₂
Boiling Point 415 °C at 760 mmHg
Molecular Weight 292.462
Flash Point 186 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5a-Androstane-3a,17b-diol (8CI);3a,17b-Dihydroxy-5a-androstane;3a,5a-Tetrahydrotestosterone;Adiol;Androstane-3a,17b-diol;Etiocholane-3a,17b-diol;Hombreol;NSC 9899;
PSA 40.46000
LogP 3.75090

5a-Androstane-3a,17b-diol Specification

The 5a-Androstane-3a,17b-diol, with CAS registry number 1852-53-5, belongs to the following product categories: (1)Steroids; (2)Steroids & Hormones - 13C & 2H. It has the systematic name of (3α,5α,17β)-androstane-3,17-diol. And its IUPAC name is (3R,5S,8R,9S,10S,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-3,17-diol.

Physical properties about this chemical are: (1)ACD/LogP: 4.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.33; (4)ACD/LogD (pH 7.4): 4.33; (5)ACD/BCF (pH 5.5): 1149.75; (6)ACD/BCF (pH 7.4): 1149.75; (7)ACD/KOC (pH 5.5): 5399.82; (8)ACD/KOC (pH 7.4): 5399.82; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 84.95 cm³; (15)Molar Volume: 268.1 cm³; (16)Polarizability: 33.67×10^-24cm³; (17)Surface Tension: 42.6 dyne/cm; (18)Enthalpy of Vaporization: 77.17 kJ/mol; (19)Vapour Pressure: 1.27E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H]4CC[C@]3([C@@H](CC[C@H]2[C@@H]1CC[C@H](O)[C@@]1(C)CC[C@@H]23)C4)C
(2)InChI: InChI=1/C19H32O2/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/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1
(3)InChIKey: CBMYJHIOYJEBSB-KHOSGYARBM
(4)Std. InChI: InChI=1S/C19H32O2/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/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1
(5)Std. InChIKey: CBMYJHIOYJEBSB-KHOSGYARSA-N

Product Name

5a-Androstane-3a,17b-diol

5a-Androstane-3a,17b-diol Specification

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