Pregnane-3,7,17,20-tetrol

Base Information

• Chemical Name: Pregnane-3,7,17,20-tetrol
• CAS No.: 137767-50-1
• Molecular Formula: C21H36 O4
• Molecular Weight: 352.51
• DSSTox Substance ID: DTXSID30929891
• Wikidata: Q82905033
• Metabolomics Workbench ID: 199342
• Mol file: 137767-50-1.mol

Synonyms:5alpha-pregnane-3beta,7alpha,17,20beta-tetrol;pregnane-3,7,17,20-tetrol

Chemical Property of Pregnane-3,7,17,20-tetrol

Chemical Property:

• Vapor Pressure: 1.78E-12mmHg at 25°C
• Boiling Point: 508.7°Cat760mmHg
• Flash Point: 227.5°C
• PSA: 0.00000
• Density: 1.188g/cm³
• LogP: 0.00000
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 352.26135963
• Heavy Atom Count: 25
• Complexity: 538

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1(CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C)O)O
• Isomeric SMILES: C[C@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C)O)O