17-Hydroxypregnenolone sulfate

Base Information

• Chemical Name: 17-Hydroxypregnenolone sulfate
• CAS No.: 28901-70-4
• Molecular Formula: C21H32O6S
• Molecular Weight: 412.5402
• DSSTox Substance ID: DTXSID80183103
• Metabolomics Workbench ID: 36962
• Mol file: 28901-70-4.mol

Synonyms:17 alpha-hydroxypregnenolone sulfate;17-hydroxypregnenolone 3-sulfate;17-hydroxypregnenolone sulfate

Chemical Property of 17-Hydroxypregnenolone sulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 109.28000
• Density: 1.32g/cm³
• LogP: 4.53810
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 412.19195991
• Heavy Atom Count: 28
• Complexity: 813

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1(CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)O)C)C)O
• Isomeric SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)OS(=O)(=O)O)C)C)O