ChemSpider 2D Image | 4-(Hexopyranosyloxy)-3,5-dihydroxybenzyl 2-[5-({[4-(hexopyranosyloxy)-3,5-dihydroxybenzyl]oxy}carbonyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate | C40H42O26

4-(Hexopyranosyloxy)-3,5-dihydroxybenzyl 2-[5-({[4-(hexopyranosyloxy)-3,5-dihydroxybenzyl]oxy}carbonyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate

  • Molecular FormulaC40H42O26
  • Average mass938.746 Da
  • Monoisotopic mass938.196411 Da
  • ChemSpider ID382600

More details:

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

2-[5-({[4-(Hexopyranosyloxy)-3,5-dihydroxybenzyl]oxy}carbonyl)-2,3-dihydroxyphénoxy]-3,4,5-trihydroxybenzoate de 4-(hexopyranosyloxy)-3,5-dihydroxybenzyle [French] [ACD/IUPAC Name]
4-(Hexopyranosyloxy)-3,5-dihydroxybenzyl 2-[5-({[4-(hexopyranosyloxy)-3,5-dihydroxybenzyl]oxy}carbonyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate [ACD/IUPAC Name]
4-(Hexopyranosyloxy)-3,5-dihydroxybenzyl-2-[5-({[4-(hexopyranosyloxy)-3,5-dihydroxybenzyl]oxy}carbonyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2-[5-[[[4-(hexopyranosyloxy)-3,5-dihydroxyphenyl]methoxy]carbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxy-, [4-(hexopyranosyloxy)-3,5-dihydroxyphenyl]methyl ester [ACD/Index Name]
68325-50-8 [RN]
CHESTANIN

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

NSC311363 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1307.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 205.7±3.0 kJ/mol
Flash Point: 391.9±27.8 °C
Index of Refraction: 1.763
Molar Refractivity: 213.6±0.3 cm3
#H bond acceptors: 26
#H bond donors: 17
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -3.46
ACD/LogD (pH 5.5): -3.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 443 Å2
Polarizability: 84.7±0.5 10-24cm3
Surface Tension: 108.0±3.0 dyne/cm
Molar Volume: 517.2±3.0 cm3

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