Cholestane-3,5,6-triol, (3b,5a,6b)-


Chemical Name: Cholestane-3,5,6-triol, (3b,5a,6b)-
CAS Number: 1253-84-5
Product Number: AG000G45(AGN-PC-0O0QMZ)
Synonyms:
MDL No:
Molecular Formula: C27H48O3
Molecular Weight: 420.6682

Identification/Properties


Computed Properties
Molecular Weight:
420.678g/mol
XLogP3:
7
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
420.36g/mol
Monoisotopic Mass:
420.36g/mol
Topological Polar Surface Area:
60.7A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
619
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
10
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301+H311+H331
Precautionary Statements:
P501-P261-P270-P271-P264-P280-P361+P364-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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