6-Hydroxycholestan-3-yl sulfate

Base Information

• Chemical Name: 6-Hydroxycholestan-3-yl sulfate
• CAS No.: 141677-55-6
• Molecular Formula: C27H48 O5 S . Na
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID20931160
• Mol file: 141677-55-6.mol

Synonyms:6 alpha-hydroxy-5 alpha-cholestan-3 beta-yl sulfate;6-hydroxycholestan-3-yl sulfate;6-hydroxycholestan-3-yl sulfate, monosodium salt;6-OH-cholest-3-SO4

Chemical Property of 6-Hydroxycholestan-3-yl sulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 95.04000
• Density: g/cm³
• LogP: 7.00470
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 507.31201508
• Heavy Atom Count: 34
• Complexity: 791

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)OS(=O)(=O)O)C)O)C.[Na]
• Isomeric SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)O)C.[Na]

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