Sodium Glycocholate

CAS

863-57-0

Catalog Number

ACM863570

Category

Steroidal Compounds

Molecular Weight

487.613

Molecular Formula

C26H42NO6.Na

MSDS COA Spec Sheet

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Specification

Synonyms

GLYCOCHOLIC ACID SODIUM SALT; Sodium glycocholate hydrate;

IUPAC Name

sodium;2-[[(4R)-4-[(3R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate

Canonical SMILES

CC(CCC(=O)NCC(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]

InChI Key

OABYVIYXWMZFFJ-BSWKNYTGSA-M

Boiling Point

692ºC at 760 mmHg

Melting Point

210-215ºC (subl.)(lit.)

Flash Point

372.3ºC

Appearance

Light Green Solid

Storage

Solid

EC Number

212-730-9

Exact Mass

487.29100

Physical State

Freezer

Safety Description

22-24/25

WGK Germany

What is the molecular formula of Sodium glycocholate?

The molecular formula of Sodium glycocholate is C26H42NNaO6.

What is the molecular weight of Sodium glycocholate?

The molecular weight of Sodium glycocholate is 487.6 g/mol.

What is the parent compound of Sodium glycocholate?

The parent compound of Sodium glycocholate is Glycocholic acid.

What are some synonyms for Sodium glycocholate?

Some synonyms for Sodium glycocholate are Glycocholic acid sodium salt, Glycocholate sodium, and Glycocholate sodium salt.

What is the IUPAC name of Sodium glycocholate?

The IUPAC name of Sodium glycocholate is sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate.

What are some other identifiers for Sodium glycocholate?

Some other identifiers for Sodium glycocholate include CAS number 863-57-0 and UNII V06CXA1W3K.

How many hydrogen bond donor counts are there in Sodium glycocholate?

There are 4 hydrogen bond donor counts in Sodium glycocholate.

What is the exact mass of Sodium glycocholate?

The exact mass of Sodium glycocholate is 487.29098234 g/mol.

How many rotatable bond counts are there in Sodium glycocholate?

There are 6 rotatable bond counts in Sodium glycocholate.

What is the topological polar surface area of Sodium glycocholate?

The topological polar surface area of Sodium glycocholate is 130Å².