[2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate

Base Information

• Chemical Name: [2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
• CAS No.: 51005-44-8
• Molecular Formula: C25H30O13
• Molecular Weight: 538.50
• European Community (EC) Number: 803-851-3
• Mol file: 51005-44-8.mol

Synonyms:51005-44-8;(R)-1,1-Binaphthyl-2,2-diylhydrogenphosphate

Chemical Property of [2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate

Chemical Property:

• Boiling Point: 815.9±65.0 °C(Predicted)
• PKA: 9.48±0.10(Predicted)
• PSA: 197.13000
• Density: 1.61±0.1 g/cm3(Predicted)
• LogP: -1.61180
• Storage Temp.: ?20°C
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 538.16864101
• Heavy Atom Count: 38
• Complexity: 912

Purity/Quality:

99%, ^*data from raw suppliers

Minecoside ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=CC(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O
• Isomeric SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O
• Uses: Minecoside is an iridoid glycoside with antioxidant activity and is obtained from Veronica peregrina. Potential anti-inflammatory agent.