Phtheirospermoside

Base Information

• Chemical Name: Phtheirospermoside
• CAS No.: 113953-02-9
• Molecular Formula: C30H38 O15
• Molecular Weight: 638.6137
• Wikidata: Q105030443
• Mol file: 113953-02-9.mol

Synonyms:Phtheirospermoside;113953-02-9;beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-(3-(3-hydroxy-4-methoxyphenyl)-2-propenoate), (E)-

Chemical Property of Phtheirospermoside

Chemical Property:

• Vapor Pressure: 3.58E-35mmHg at 25°C
• Boiling Point: 903.6°Cat760mmHg
• Flash Point: 290.4°C
• Density: 1.54g/cm³
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 11
• Exact Mass: 638.22107050
• Heavy Atom Count: 45
• Complexity: 983

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1C(C(C(C(O1)CO)OC(=O)C=CC2=CC(=C(C=C2)OC)O)OC3C(C(C(C(O3)C)O)O)O)(C4=CC(=C(C=C4)O)O)O
• Isomeric SMILES: CCO[C@H]1[C@]([C@H]([C@@H]([C@H](O1)CO)OC(=O)/C=C/C2=CC(=C(C=C2)OC)O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)(C4=CC(=C(C=C4)O)O)O