Diethylstilbestrol bisglucuronide

Base Information

• Chemical Name: Diethylstilbestrol bisglucuronide
• CAS No.: 53915-13-2
• Molecular Formula: C30H36 O14
• Molecular Weight: 620.6
• Mol file: 53915-13-2.mol

Synonyms:diethylstilbestrol bisglucuronide;diethylstilbestrol diglucuronide

Chemical Property of Diethylstilbestrol bisglucuronide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 914.6°Cat760mmHg
• Flash Point: 295.9°C
• PSA: 232.90000
• Density: 1.525g/cm³
• LogP: -0.04060
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 10
• Exact Mass: 620.21050582
• Heavy Atom Count: 44
• Complexity: 926

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C(CC)C1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)C(=O)O)O)O)O
• Isomeric SMILES: CC/C(=C(/CC)\C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O