Baccharinoid B5

Base Information

• Chemical Name: Baccharinoid B5
• CAS No.: 61251-97-6
• Molecular Formula: C29H38 O11
• Molecular Weight: 562.61
• Mol file: 61251-97-6.mol

Synonyms:Baccharin;Baccharinoid B5;NSC 269757;BRN 5787382;Verrucarin A, 7'-deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)-, (2'S,3'R,4'S,7'R(R),9R,10S)-;LS-162097

Chemical Property of Baccharinoid B5

Chemical Property:

• Boiling Point: 799.1oC at 760 mmHg
• Flash Point: 263.7oC
• PSA: 149.11000
• Density: 1.42g/cm3
• LogP: 0.73590
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 1
• Exact Mass: 562.24141202
• Heavy Atom Count: 40
• Complexity: 1170

Purity/Quality:

99% ^*data from raw suppliers

BACCHARIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1C=CC=CC(=O)OC2CC3C4(C2(C5(CCC6(C(C5O3)O6)C)COC(=O)C7C(O7)(C(CO1)O)C)C)CO4)O
• Isomeric SMILES: CC(C1/C=C\C=C\C(=O)OC2CC3C4(C2(C5(CCC6(C(C5O3)O6)C)COC(=O)C7C(O7)(C(CO1)O)C)C)CO4)O