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2930-80-5

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Basic Information
CAS No.: 2930-80-5
Name: CHOLESTERYL IODIDE
Article Data: 30
Molecular Structure:
Molecular Structure of 2930-80-5 (CHOLESTERYL IODIDE)
Formula: C27H45I
Molecular Weight: 496.559
Synonyms: Cholest-5-ene,3b-iodo- (6CI,7CI,8CI);3b-Iodocholest-5-ene;Cholesteroliodide;Cholesteryl iodide;
EINECS: 220-900-9
Density: 1.19 g/cm3
Boiling Point: 499.5 °C at 760 mmHg
Flash Point: 207.7 °C
PSA: 0.00000
LogP: 8.83140
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Specification

The CAS register number of Cholest-5-ene, 3-iodo-,(3β)- is 2930-80-5. It also can be called as Cholesteroliodide and the IUPAC name about this chemical is (3β)-3-iodocholest-5-ene. The molecular formula about this chemical is C27H45I and the molecular weight is 496.55.

Physical properties about Cholest-5-ene, 3-iodo-,(3β)- are: (1)ACD/LogP: 12.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.05; (4)ACD/LogD (pH 7.4): 12.05; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.547; (11)Molar Refractivity: 131.36 cm3; (12)Molar Volume: 413.8 cm3; (13)Polarizability: 52.07x10-24cm3; (14)Surface Tension: 38.5 dyne/cm; (15)Density: 1.19 g/cm3; (16)Flash Point: 207.7 °C; (17)Enthalpy of Vaporization: 73.88 kJ/mol; (18)Boiling Point: 499.5 °C at 760 mmHg; (19)Vapour Pressure: 1.27E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: I[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/C27H45I/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/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
(3)InChIKey: PMVJGSYGUZXDAR-DPAQBDIFBC
(4)Std. InChI: InChI=1S/C27H45I/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/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
(5)Std. InChIKey: PMVJGSYGUZXDAR-DPAQBDIFSA-N