ChemSpider 2D Image | (1R,3R,4S,5R)-1,3-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-4,5-dihydroxycyclohexanecarboxylate | C25H23O12

(1R,3R,4S,5R)-1,3-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-4,5-dihydroxycyclohexanecarboxylate

  • Molecular FormulaC25H23O12
  • Average mass515.443 Da
  • Monoisotopic mass515.119507 Da
  • ChemSpider ID58145492

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,3R,4S,5R)-1,3-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-4,5-dihydroxycyclohexancarboxylat [German] [ACD/IUPAC Name]
(1R,3R,4S,5R)-1,3-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-4,5-dihydroxycyclohexanecarboxylate [ACD/IUPAC Name]
(1R,3R,4S,5R)-1,3-Bis{[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]oxy}-4,5-dihydroxycyclohexanecarboxylate [French] [ACD/IUPAC Name]
Cyclohexanecarboxylato, 1,3-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4,5-dihydroxy-, ion(1-), (1R,3R,4S,5R)- [ACD/Index Name]
(1R,3R,4S,5R)-1,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxycyclohexane-1-carboxylate
1,3-dicaffeoylquinate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 819.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.9±3.0 kJ/mol
Flash Point: 278.1±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.64
ACD/LogD (pH 5.5): -1.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement