ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)ethyl 3-O-(6-deoxy-beta-D-allopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-gulopyranoside | C29H36O15

2-(3,4-Dihydroxyphenyl)ethyl 3-O-(6-deoxy-β-D-allopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-gulopyranoside

  • Molecular FormulaC29H36O15
  • Average mass624.587 Da
  • Monoisotopic mass624.205444 Da
  • ChemSpider ID113610810

  • 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

2-(3,4-Dihydroxyphenyl)ethyl 3-O-(6-deoxy-β-D-allopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-gulopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)ethyl-3-O-(6-desoxy-β-D-allopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-gulopyranosid [German] [ACD/IUPAC Name]
3-O-(6-Désoxy-β-D-allopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-β-D-gulopyranoside de 2-(3,4-dihydroxyphényl)éthyle [French] [ACD/IUPAC Name]
β-D-Gulopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-β-D-allopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 908.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.4±3.0 kJ/mol
Flash Point: 294.7±27.8 °C
Index of Refraction: 1.689
Molar Refractivity: 148.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.19
ACD/KOC (pH 5.5): 60.98
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 2.16
ACD/KOC (pH 7.4): 60.25
Polar Surface Area: 245 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 97.1±5.0 dyne/cm
Molar Volume: 388.6±5.0 cm3

Click to predict properties on the Chemicalize site


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