Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Cholesterol-3-D1 |
EINECS | N/A |
CAS No. | 51467-57-3 | Density | 0.99 g/cm3 |
PSA | 20.23000 | LogP | 7.38870 |
Solubility | N/A | Melting Point |
N/A |
Formula | C27H45DO | Boiling Point | 480.648 °C at 760 mmHg |
Molecular Weight | 387.66 | Flash Point | 209.291 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
CHOLESTEROL-3-D1;Cholesterol-d1 |
Article Data | 5 |
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: 20.23Å2; (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