EPICHOLESTEROL

The Cholest-5-en-3-ol, (3a)-, with CAS registry number 474-77-1, has the systematic name of (3α)-cholest-5-en-3-ol. Besides this, it is also called 5-Cholesten-3-alpha-ol. Its molecular weight is 386.6535. And the chemical formula of this chemical is C₂₇H₄₆O.

Physical properties of Cholest-5-en-3-ol, (3a)-: (1)ACD/LogP: 9.85; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.85; (4)ACD/LogD (pH 7.4): 9.85; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 5438353.5; (8)ACD/KOC (pH 7.4): 5438353.5; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 119.97 cm³; (15)Molar Volume: 391.4 cm³; (16)Polarizability: 47.56×10^-24cm³; (17)Surface Tension: 38.1 dyne/cm; (18)Density: 0.98 g/cm³; (19)Flash Point: 209.3 °C; (20)Enthalpy of Vaporization: 85.88 kJ/mol; (21)Boiling Point: 480.6 °C at 760 mmHg; (22)Vapour Pressure: 2.95E-11 mmHg at 25°C.

You can still convert the following datas into 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)CCCC(C)C)C)[C@@]3(C)CC4
(2)InChI: InChI=1/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21-,22+,23-,24+,25+,26+,27-/m1/s1
(3)InChIKey: HVYWMOMLDIMFJA-VEIPTCAHBK
(4)Std. InChI: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21-,22+,23-,24+,25+,26+,27-/m1/s1
(5)Std. InChIKey: HVYWMOMLDIMFJA-VEIPTCAHSA-N