Cholesterol-3-D1 (51467-57-3)

The cas register number of Cholesterol-3-D1 is 51467-57-3. The Systematic name about this chemical is (3β)-(3-2H)Cholest-5-en-3-ol.

Physical properties about Cholesterol-3-D1 are: (1)ACD/LogP: 9.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.619; (4)ACD/LogD (pH 7.4): 9.619; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 4069762.5; (8)ACD/KOC (pH 7.4): 4069762.5; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 20.23Ų; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 119.974 cm³; (15)Molar Volume: 391.428 cm³; (16)Polarizability: 47.561x10^-24cm³; (17)Surface Tension: 38.168 dyne/cm; (18)Enthalpy of Vaporization: 85.88 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H][C@@]1(CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C)O
(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?/m0/s1/i21D
(3)InChIKey: HVYWMOMLDIMFJA-MPOQVBCFFA
(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?/m0/s1/i21D 
(5)Std. InChIKey: HVYWMOMLDIMFJA-MPOQVBCFSA-N