3,17-Androstanediol glucuronide

Base Information

• Chemical Name: 3,17-Androstanediol glucuronide
• CAS No.: 27195-25-1
• Molecular Formula: C25H40O8
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID40949929
• Wikidata: Q76149754
• NCI Thesaurus Code: C121965
• Mol file: 27195-25-1.mol

Synonyms:3 alpha-diol G;3,17-androstanediol glucuronide;3-alpha-androstanediol glucuronide;3-hydroxyandrostan-17-yl-glucopyranosiduronic acid;5-alpha-androstane-3 alpha,17 beta-diol glucuronide;androstane-3,17-diol glucuronide;androstane-3,17-diol glucuronide, (3alpha,5beta,17beta)-isomer;androstane-3,17-diol glucuronide, (3beta,5alpha,17beta)-isomer

Chemical Property of 3,17-Androstanediol glucuronide

Chemical Property:

• Vapor Pressure: 1.36E-17mmHg at 25°C
• Boiling Point: 613.1°Cat760mmHg
• Flash Point: 202.1°C
• Density: 1.34g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 468.27231823
• Heavy Atom Count: 33
• Complexity: 761

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4O)C)OC(=O)C5C(C(C(C(O5)O)O)O)O
• Isomeric SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)OC(=O)[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)O)O)O)O