Structure

5Alpha-cholestane

CAS
481-21-0
Catalog Number
ACM481210
Category
Steroidal Compounds
Molecular Weight
372.67
Molecular Formula
C27H48

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Specification

Synonyms
5ALPHA-CHOLESTANE; 5alpha-Cholestane; 5alpha-cholestane;
IUPAC Name
(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
Canonical SMILES
CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C
InChI Key
XIIAYQZJNBULGD-XWLABEFZSA-N
Boiling Point
440.9ºC at 760 mmHg
Melting Point
78-80ºC
Flash Point
210.3ºC
Density
0.91 g/cm³
Appearance
Off white powder
EC Number
207-562-8
Exact Mass
372.37600
Hazard Statements
Xn: Harmful;
Safety Description
24/25-36/37
WGK Germany
3
What is the molecular formula of 5alpha-cholestane?

The molecular formula of 5alpha-cholestane is C27H48.

What is the molecular weight of 5alpha-cholestane?

The molecular weight of 5alpha-cholestane is 372.7 g/mol.

When was 5alpha-cholestane created?

5alpha-cholestane was created on July 19, 2005.

What is the InChIKey of 5alpha-cholestane?

The InChIKey of 5alpha-cholestane is XIIAYQZJNBULGD-XWLABEFZSA-N.

How many hydrogen bond donor counts does 5alpha-cholestane have?

5alpha-cholestane has 0 hydrogen bond donor counts.

How many rotatable bond counts does 5alpha-cholestane have?

5alpha-cholestane has 5 rotatable bond counts.

What is the exact mass of 5alpha-cholestane?

The exact mass of 5alpha-cholestane is 372.375601531 g/mol.

How many heavy atoms does 5alpha-cholestane contain?

5alpha-cholestane contains 27 heavy atoms.

What is the topological polar surface area of 5alpha-cholestane?

The topological polar surface area of 5alpha-cholestane is 0Ų.

What is the formal charge of 5alpha-cholestane?

The formal charge of 5alpha-cholestane is 0.

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