ChemSpider 2D Image | (2E)-4-Hydroxy-2-methyl-2-buten-1-yl 2,6-bis-O-[(3,4-dihydroxyphenyl)acetyl]-beta-D-glucopyranoside | C27H32O13

(2E)-4-Hydroxy-2-methyl-2-buten-1-yl 2,6-bis-O-[(3,4-dihydroxyphenyl)acetyl]-β-D-glucopyranoside

  • Molecular FormulaC27H32O13
  • Average mass564.535 Da
  • Monoisotopic mass564.184265 Da
  • ChemSpider ID8754236

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2E)-4-Hydroxy-2-methyl-2-buten-1-yl 2,6-bis-O-[(3,4-dihydroxyphenyl)acetyl]-β-D-glucopyranoside [ACD/IUPAC Name]
(2E)-4-Hydroxy-2-methyl-2-buten-1-yl-2,6-bis-O-[(3,4-dihydroxyphenyl)acetyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2,6-Bis-O-[2-(3,4-dihydroxyphényl)acétyl]-β-D-glucopyranoside de (2E)-4-hydroxy-2-méthyl-2-butén-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2E)-4-hydroxy-2-methyl-2-buten-1-yl, 2,6-bis[2-(3,4-dihydroxyphenyl)acetate] [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 832.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.8±3.0 kJ/mol
Flash Point: 274.4±27.8 °C
Index of Refraction: 1.662
Molar Refractivity: 136.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 5.18
ACD/KOC (pH 5.5): 112.97
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.06
ACD/KOC (pH 7.4): 110.24
Polar Surface Area: 213 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 87.2±5.0 dyne/cm
Molar Volume: 368.5±5.0 cm3

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