ChemSpider 2D Image | (3R)-1,7-Bis(3,4-dihydroxyphenyl)-3-heptanyl 6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside | C32H38O14

(3R)-1,7-Bis(3,4-dihydroxyphenyl)-3-heptanyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

  • Molecular FormulaC32H38O14
  • Average mass646.636 Da
  • Monoisotopic mass646.226135 Da
  • ChemSpider ID8922098

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3R)-1,7-Bis(3,4-dihydroxyphenyl)-3-heptanyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3R)-1,7-Bis(3,4-dihydroxyphenyl)-3-heptanyl-6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(3,4,5-Trihydroxybenzoyl)-β-D-glucopyranoside de (3R)-1,7-bis(3,4-dihydroxyphényl)-3-heptanyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1R)-5-(3,4-dihydroxyphenyl)-1-[2-(3,4-dihydroxyphenyl)ethyl]pentyl, 6-(3,4,5-trihydroxybenzoate) [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: 999.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.8±3.0 kJ/mol
Flash Point: 320.0±27.8 °C
Index of Refraction: 1.716
Molar Refractivity: 159.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 153.74
ACD/KOC (pH 5.5): 1276.66
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 113.51
ACD/KOC (pH 7.4): 942.62
Polar Surface Area: 247 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 103.8±5.0 dyne/cm
Molar Volume: 405.5±5.0 cm3

Click to predict properties on the Chemicalize site


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