ChemSpider 2D Image | Ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-2-C-(3,4-dihydroxyphenyl)-6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside | C29H36O15

Ethyl 3-O-(6-deoxy-α-L-mannopyranosyl)-2-C-(3,4-dihydroxyphenyl)-6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC29H36O15
  • Average mass624.587 Da
  • Monoisotopic mass624.205444 Da
  • ChemSpider ID4943021
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres


More details:






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

3-O-(6-Désoxy-α-L-mannopyranosyl)-2-C-(3,4-dihydroxyphényl)-6-O-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-β-D-glucopyranoside d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-O-(6-deoxy-α-L-mannopyranosyl)-2-C-(3,4-dihydroxyphenyl)-6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
Ethyl-3-O-(6-desoxy-α-L-mannopyranosyl)-2-C-(3,4-dihydroxyphenyl)-6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, ethyl 3-O-(6-deoxy-α-L-mannopyranosyl)-2-C-(3,4-dihydroxyphenyl)-6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-α-L-mannopyranosyl)-, 6-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 940.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.3±3.0 kJ/mol
Flash Point: 305.2±27.8 °C
Index of Refraction: 1.690
Molar Refractivity: 148.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.30
ACD/KOC (pH 5.5): 114.69
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.23
ACD/KOC (pH 7.4): 113.33
Polar Surface Area: 245 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 96.7±5.0 dyne/cm
Molar Volume: 388.4±5.0 cm3

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