Cholesteryl sodium sulfate

• Catalog Number: ACM2864508
• Product Name: Cholesteryl sodium sulfate
• CAS: 2864-50-8
• Category: Steroidal Compounds
• 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
• Molecular Weight: 488.7
• Molecular Formula: C₂₇H₄₅NaO₄S
• InChI Key: LMPVQXVJTZWENW-KPNWGBFJSA-M
• Melting Point: 178-180ºC
• Appearance: White to off-white solid/powder.
• Exact Mass: 488.29400
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• WGK Germany: 3

Custom Q&A

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.