Found 42 results

Search term: MF = 'C_{20}H_{20}O_{10}'
ChemSpider 2D Image | (3R,4R,5R)-5-{[(2E)-3-(3,4-Diacetoxyphenyl)-2-propenoyl]oxy}-3,4-dihydroxy-1-cyclohexene-1-carboxylic acid | C20H20O10

(3R,4R,5R)-5-{[(2E)-3-(3,4-Diacetoxyphenyl)-2-propenoyl]oxy}-3,4-dihydroxy-1-cyclohexene-1-carboxylic acid

  • Molecular FormulaC20H20O10
  • Average mass420.367 Da
  • Monoisotopic mass420.105652 Da
  • ChemSpider ID29272295

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,4R,5R)-5-{[(2E)-3-(3,4-Diacetoxyphenyl)-2-propenoyl]oxy}-3,4-dihydroxy-1-cyclohexen-1-carbonsäure [German] [ACD/IUPAC Name]
(3R,4R,5R)-5-{[(2E)-3-(3,4-Diacetoxyphenyl)-2-propenoyl]oxy}-3,4-dihydroxy-1-cyclohexene-1-carboxylic acid [ACD/IUPAC Name]
1-Cyclohexene-1-carboxylic acid, 5-[[(2E)-3-[3,4-bis(acetyloxy)phenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-, (3R,4R,5R)- [ACD/Index Name]
Acide (3R,4R,5R)-5-{[(2E)-3-(3,4-diacétoxyphényl)-2-propenoyl]oxy}-3,4-dihydroxy-1-cyclohexène-1-carboxylique [French] [ACD/IUPAC Name]
5-[3-(3,4-Diacetoxy-phenyl)-acryloyloxy]-3,4-dihydroxy-cyclohex-1-enecarboxylic acid
73263-62-4 [RN]
Caffeoyl shikimate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 651.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 229.4±25.0 °C
Index of Refraction: 1.612
Molar Refractivity: 99.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.06
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.96
ACD/LogD (pH 7.4): -2.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 285.8±5.0 cm3

Click to predict properties on the Chemicalize site


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