3ALPHA,5-CYCLO-5ALPHA-CHOLESTAN-6BETA-OL METHYL ETHER

The 3,5-Cyclocholestane,6-methoxy-, (3α,5R,6β)- is an organic compound with the formula C₂₈H₄₈O. The systematic name of this chemical is (3α,5α,6β)-6-Methoxy-3,5-cyclocholestane. With the CAS registry number 2867-93-8, it is also named as 6-Methoxy-3,5-cyclocholestane. Besides, it should be stored at -20 °C.

The physical properties of 3,5-Cyclocholestane,6-methoxy-, (3α,5R,6β)- are: (1)ACD/LogP: 10.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.11; (4)ACD/LogD (pH 7.4): 10.11; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 7544189.5; (8)ACD/KOC (pH 7.4): 7544189.5; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.519; (13)Molar Refractivity: 123.07 cm³; (14)Molar Volume: 405.3 cm³; (15)Polarizability: 48.78×10^-24 cm³; (16)Surface Tension: 36.6 dyne/cm; (17)Density: 0.98 g/cm³; (18)Flash Point: 217.3 °C; (19)Enthalpy of Vaporization: 66.59 kJ/mol; (20)Boiling Point: 436.2 °C at 760 mmHg; (21)Vapour Pressure: 2.11E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C)[C@H]3[C@@]54[C@H](CC[C@@]4([C@@H]1[C@H]([C@H]2[C@](C)(CC1)[C@@H]([C@H](C)CCCC(C)C)CC2)C3)C)C5
(2)InChI: InChI=1/C28H48O/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-25(29-6)28-17-20(28)12-15-27(28,5)24(21)13-14-26(22,23)4/h18-25H,7-17H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27-,28+/m1/s1
(3)InChIKey: DSVYQBSADVVKNY-HHZNOXSWBM
(4)Std. InChI: InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-25(29-6)28-17-20(28)12-15-27(28,5)24(21)13-14-26(22,23)4/h18-25H,7-17H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27-,28+/m1/s1
(5)Std. InChIKey: DSVYQBSADVVKNY-HHZNOXSWSA-N

The toxicity data is as follows: