[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate

Base Information

• Chemical Name: [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
• CAS No.: 80377-39-5
• Molecular Formula: C31H40 O15
• Molecular Weight: 652.6403
• Mol file: 80377-39-5.mol

Synonyms:80377-39-5;beta-D-Glucopyranoside, 2-(3-hydroxy-4-methoxyphenyl)ethyl3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-(3-(3-hydroxy-4-methoxyphenyl)-2-propenoate)

Chemical Property of [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate

Chemical Property:

• Vapor Pressure: 1.29E-33mmHg at 25°C
• Boiling Point: 885.5°Cat760mmHg
• Flash Point: 281.9°C
• PSA: 223.29000
• Density: 1.48g/cm³
• LogP: -0.40990
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 13
• Exact Mass: 652.23672056
• Heavy Atom Count: 46
• Complexity: 968

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)OC)O)CO)OCCC4=CC(=C(C=C4)OC)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)OC)O)CO)OCCC4=CC(=C(C=C4)OC)O)O)O)O)O