Cholesteryl sodium sulfate

CAS

2864-50-8

Catalog Number

ACM2864508

Category

Steroidal Compounds

Molecular Weight

488.7

Molecular Formula

C₂₇H₄₅NaO₄S

MSDS COA Spec Sheet

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Specification

Synonyms

Cholesteryl sodium sulfate, Sodium cholesteryl sulfate, C9523_SIGMA, Cholesteryl sulfate sodium salt, 26955_FLUKA, Cholesterol 3-sulfate sodium salt, 5-Cholesten-3beta-ol sulfate sodium salt, Cholest-5-en-3-ol (3beta)-, hydrogen sulfate, sodium salt, 2864-50-8

IUPAC Name

sodium [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate

InChI Key

LMPVQXVJTZWENW-KPNWGBFJSA-M

Melting Point

178-180ºC

Appearance

White to off-white solid/powder.

Exact Mass

488.29400

H-Bond Acceptor

H-Bond Donor

WGK Germany

What is the molecular formula of cholesteryl sodium sulfate?

The molecular formula of cholesteryl sodium sulfate is C27H45NaO4S.

What is the molecular weight of cholesteryl sodium sulfate?

The molecular weight of cholesteryl sodium sulfate is 488.7 g/mol.

What is the IUPAC name of cholesteryl sodium sulfate?

The IUPAC name of cholesteryl sodium sulfate is sodium;[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate.

What is the InChI of cholesteryl sodium sulfate?

The InChI of cholesteryl sodium sulfate is InChI=1S/C27H46O4S.Na/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5;/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30);/q;+1/p-1/t19-,21+,22+,23-,24+,25+,26+,27-;/m1./s1.

What is the canonical SMILES of cholesteryl sodium sulfate?

The canonical SMILES of cholesteryl sodium sulfate is CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)[O-])C)C.[Na+].

What is the CAS number of cholesteryl sodium sulfate?

The CAS number of cholesteryl sodium sulfate is 2864-50-8.

How many hydrogen bond donor counts does cholesteryl sodium sulfate have?

Cholesteryl sodium sulfate has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does cholesteryl sodium sulfate have?

Cholesteryl sodium sulfate has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does cholesteryl sodium sulfate have?

Cholesteryl sodium sulfate has 7 rotatable bond counts.