Cholest-5-ene-3,7-diol,(3b,7b)- (566-27-8)

The IUPAC name of 7-Hydroxy cholesterol is (7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol. With the CAS registry number 566-27-8, it is also named as Cholest-5-ene-3,7-diol, (3beta,7beta)-. The product's categories are hydroxycholesterol, intermediates & fine chemicals, pharmaceuticals and steroids. In addition, its molecular formula is C₂₇H₄₆O₂ and molecular weight is 402.65. Moreover, this chemical is used as a metabolite of Cholesterol.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 7.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.94; (4)ACD/LogD (pH 7.4): 7.94; (5)ACD/BCF (pH 5.5): 634835.13; (6)ACD/BCF (pH 7.4): 634835.13; (7)ACD/KOC (pH 5.5): 495581.5; (8)ACD/KOC (pH 7.4): 495581.5; (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: 214.7 °C; (20)Enthalpy of Vaporization: 90.6 kJ/mol; (21)Boiling Point: 515.3 °C at 760 mmHg; (22)Vapour Pressure: 8.93E-13 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 7-Hydroxy cholesterol is harmful if swallowed and very toxic by inhalation.

People can use the following data to convert to the molecule structure.
SMILES:CC(C)CCC[C@@H](C)[C@H]3CC[C@H]2[C@@H]4[C@@H](O)/C=C1/C[C@@H](O)CC[C@]1(C)[C@H]4CC[C@@]23C
InChI:InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1
InChIKey:OYXZMSRRJOYLLO-KGZHIOMZBE
Std. InChI:InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1
Std. InChIKey:OYXZMSRRJOYLLO-KGZHIOMZSA-N