3-(2-Glucosyloxy-4-methoxyphenyl)propanoic acid

Base Information

• Chemical Name: 3-(2-Glucosyloxy-4-methoxyphenyl)propanoic acid
• CAS No.: 477873-63-5
• Molecular Formula: C16H24O9
• Molecular Weight: 360.35636
• DSSTox Substance ID: DTXSID20904192
• Nikkaji Number: J1.851.171A
• Wikidata: Q82873431
• Mol file: 477873-63-5.mol

Synonyms:3-(2-Glucosyloxy-4-methoxyphenyl)propanoic acid;477873-63-5;3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid;2-O-|A-D-Glucosyloxy-4-methoxybenzene propanoic acid;MEGxp0_000145;ACon1_000114;DTXSID20904192;CHEBI:189457;AKOS040761051;FS-8821;NCGC00180868-01;NCGC00180868-02;HY-134663;CS-0147027;3-(2-Glucosyloxy-4- Methoxyphenyl)propanoic acid;BRD-K26882894-001-01-3;2-(beta-D-Glucopyranosyloxy)-4-methoxybenzenepropanoic acid;3-[2-(beta-D-Glucopyranosyloxy)-4-methoxyphenyl]propanoic acid;NCGC00180868-02_C16H22O9_3-[2-(beta-D-Glucopyranosyloxy)-4-methoxyphenyl]propanoic acid

Chemical Property of 3-(2-Glucosyloxy-4-methoxyphenyl)propanoic acid

Chemical Property:

• Melting Point: 168-169℃ (acetone )
• PSA: 145.91000
• LogP: -1.10890
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 358.12638228
• Heavy Atom Count: 25
• Complexity: 432

Purity/Quality:

99% ^*data from raw suppliers

3-(2-Glucosyloxy-4-methoxyphenyl)propanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)CCC(=O)O)OC2C(C(C(C(O2)CO)O)O)O
• Isomeric SMILES: COC1=CC(=C(C=C1)CCC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O