Androstane-3,17-diol dipropionate

Base Information

• Chemical Name: Androstane-3,17-diol dipropionate
• CAS No.: 4350-14-5
• Molecular Formula: C25H40 O4
• Molecular Weight: 404.58
• NSC Number: 23758
• UNII: S1GK360608
• DSSTox Substance ID: DTXSID10963016
• Nikkaji Number: J2.788.574H
• Wikidata: Q27116137
• Mol file: 4350-14-5.mol

Synonyms:5alpha-androstane-3alpha,17beta-diol dipropionate;androstane-3,17-diol dipropionate;androstane-3,17-diol dipropionate, (3beta,5alpha,17beta)-isomer

Chemical Property of Androstane-3,17-diol dipropionate

Chemical Property:

• Vapor Pressure: 7.02E-09mmHg at 25°C
• Boiling Point: 466.5°Cat760mmHg
• Flash Point: 221.4°C
• PSA: 52.60000
• Density: 1.08g/cm³
• LogP: 5.67270
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 404.29265975
• Heavy Atom Count: 29
• Complexity: 645

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CCC4OC(=O)CC)C)C
• Isomeric SMILES: CCC(=O)O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)CC)C)C