Estr-5-ene-3,17-diol,(3b,17b)- supplier

Name
5-ANDROSTENEDIOL
EINECS
CAS No. 25975-59-1
Article Data7
CAS DataBase
Density 1.14 g/cm³
Solubility
Melting Point 152-157 °C(Solv: ethanol, 95% (64-17-5))
Formula C₁₈H₂₈O₂
Boiling Point 429.2 °C at 760 mmHg
Molecular Weight 276.419
Flash Point 198.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Estr-5-ene-3b,17b-diol(6CI,7CI,8CI);19-Nor-5-androstene-3b,17b-diol;19-Nor-5-androstenediol;D5-Estrene-3b,17b-diol;
PSA 34.14000
LogP 4.08740

Estr-5-ene-3,17-diol,(3b,17b)- Specification

The CAS registry number of Estr-5-ene-3,17-diol,(3b,17b)- is 25975-59-1. This chemical is also named as 19-Nor-5-androstenediol. In addition, its molecular formula is C₁₈H₂₈O₂ and molecular weight is 276.4137. Its systematic name is called estr-5-ene-3,17-diol.

Physical properties about Estr-5-ene-3,17-diol,(3b,17b)- are: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 3.48; (5)ACD/BCF (pH 5.5): 261.05; (6)ACD/BCF (pH 7.4): 261.05; (7)ACD/KOC (pH 5.5): 1868.53; (8)ACD/KOC (pH 7.4): 1868.53; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 79.84 cm³; (14)Molar Volume: 241.9 cm³; (15)Surface Tension: 47.4 dyne/cm; (16)Density: 1.14 g/cm³; (17)Flash Point: 198.3 °C; (18)Enthalpy of Vaporization: 79.03 kJ/mol; (19)Boiling Point: 429.2 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OC3C\C4=C\C[C@@H]1[C@H](CC[C@]2(C)C(O)CC[C@@H]12)[C@H]4CC3
(2)InChI: InChI=1/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,12-17,19-20H,3-10H2,1H3/t12?,13-,14+,15+,16-,17?,18-/m0/s1
(3)InChIKey: VVUQRXPUVKXAIO-KPTXJRLABL

Product Name

5-ANDROSTENEDIOL

Estr-5-ene-3,17-diol,(3b,17b)- Specification

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