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22348-64-7

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Basic Information
CAS No.: 22348-64-7
Name: 22(R)-HYDROXYCHOLESTEROL
Article Data: 1
Molecular Structure:
Molecular Structure of 22348-64-7 (22(R)-HYDROXYCHOLESTEROL)
Formula: C27H46O2
Molecular Weight: 402.661
Synonyms: Cholest-5-ene-3b,22-diol, (20S,22S)- (8CI);(22S)-22-Hydroxycholesterol;(22S)-Hydroxycholesterol;22b-Hydroxycholesterol;Cholest-5-ene-3b,22(S)-diol;(3β,22R)-Cholest-5-ene-3,22-diol;(1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-en-5-ol;(22R)-22-HYDROXYCHOLESTEROL;
Density: 1.03 g/cm3
Boiling Point: 513.1 °C at 760 mmHg
Flash Point: 213.5 °C
PSA: 40.46000
LogP: 6.35950
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Specification

The 22(S)-Hydroxycholesterol, with the CAS registry number 22348-64-7, has the systematic name of (3β,22R)-cholest-5-ene-3,22-diol. It belongs to the product category of Hydroxycholesterol. And the molecular formula of the chemical is C27H46O2.

The characteristics of 22(S)-Hydroxycholesterol are as followings: (1)ACD/LogP: 7.66; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.66; (4)ACD/LogD (pH 7.4): 7.66; (5)ACD/BCF (pH 5.5): 390824.16; (6)ACD/BCF (pH 7.4): 390824.16; (7)ACD/KOC (pH 5.5): 350197.44; (8)ACD/KOC (pH 7.4): 350197.44; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 121.48 cm3; (15)Molar Volume: 389.3 cm3; (16)Polarizability: 48.16×10-24cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.03 g/cm3; (19)Flash Point: 213.5 °C; (20)Enthalpy of Vaporization: 90.29 kJ/mol; (21)Boiling Point: 513.1 °C at 760 mmHg; (22)Vapour Pressure: 1.13E-12 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)[C@H](O)CCC(C)C)C)[C@@]3(C)CC4
(2)InChI: InChI=1/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1
(3)InChIKey: RZPAXNJLEKLXNO-GFKLAVDKBG