5,25R-Cholesten-3beta,26-diol supplier

Name
5,25R-Cholesten-3beta,26-diol
EINECS
CAS No. 20380-11-4
Article Data31
CAS DataBase
Density 1.03 g/cm³
Solubility
Melting Point 172-174 °C(Solv: hexane (110-54-3); ethyl acetate (141-78-6))
Formula C₂₇H₄₆O₂
Boiling Point 517.1 °C at 760 mmHg
Molecular Weight 402.661
Flash Point 215.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cholest-5-ene-3,26,diol, (3beta,25R)-;27-hydroxycholesterol;(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;Cholest-5-ene-3beta,26-diol, (25R)-;
PSA 40.46000
LogP 6.36110

5,25R-Cholesten-3beta,26-diol Specification

The 5,25R-Cholesten-3beta,26-diol, with the cas registry number 20380-11-4, has the systematic name of (3beta,25R)-cholest-5-ene-3,26-diol. The molecular formula of the chemical is C₂₇H₄₆O₂. And it belongs to the product categories of Hydroxycholesterol and Steroids & Hormones - 13C & 2H.

The characteristics of this chemical are as followings: (1)ACD/LogP: 7.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.84; (4)ACD/LogD (pH 7.4): 7.84; (5)ACD/BCF (pH 5.5): 539248.69; (6)ACD/BCF (pH 7.4): 539248.69; (7)ACD/KOC (pH 5.5): 440946.41; (8)ACD/KOC (pH 7.4): 440946.41; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 121.51 cm³; (15)Molar Volume: 388.7 cm³; (16)Polarizability: 48.17×10^-24cm³; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.03 g/cm³; (19)Flash Point: 215.6 °C; (20)Enthalpy of Vaporization: 90.84 kJ/mol; (21)Boiling Point: 517.1 °C at 760 mmHg; (22)Vapour Pressure: 7.43E-13 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES:O[C@@H]4C/C3=C/C[C@@H]1[C@H](CC[C@]2([C@H]1CC[C@@H]2[C@H](C)CCC[C@@H](C)CO)C)[C@@]3(C)CC4
(2)InChI: InChI=1/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
(3)InChIKey: FYHRJWMENCALJY-YSQMORBQBZ

Product Name

5,25R-Cholesten-3beta,26-diol

5,25R-Cholesten-3beta,26-diol Specification

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