Chemical Property of (1S,3S,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
Chemical Property:
- Vapor Pressure:4.14E-27mmHg at 25°C
- Boiling Point:801.5°Cat760mmHg
- PKA:3.69±0.50(Predicted)
- Flash Point:265.2°C
- PSA:209.51000
- Density:1.55g/cm3
- LogP:1.34120
- XLogP3:1.8
- Hydrogen Bond Donor Count:6
- Hydrogen Bond Acceptor Count:13
- Rotatable Bond Count:11
- Exact Mass:560.15299094
- Heavy Atom Count:40
- Complexity:937
- Purity/Quality:
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Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(CC(CC2OC(=O)C=CC3=CC(=C(C=C3)O)O)(C(=O)O)O)O
- Isomeric SMILES:COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O[C@H]2[C@H](C[C@](C[C@@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)(C(=O)O)O)O