ChemSpider 2D Image | Phenyl 4-C-[(E)-2-(3,5-dihydroxyphenyl)vinyl]-2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside | C27H26O12

Phenyl 4-C-[(E)-2-(3,5-dihydroxyphenyl)vinyl]-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

  • Molecular FormulaC27H26O12
  • Average mass542.488 Da
  • Monoisotopic mass542.142456 Da
  • ChemSpider ID4948044
  • 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

4-C-[(E)-2-(3,5-Dihydroxyphényl)vinyl]-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside de phényle [French] [ACD/IUPAC Name]
Phenyl 4-C-[(E)-2-(3,5-dihydroxyphenyl)vinyl]-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
Phenyl-4-C-[(E)-2-(3,5-dihydroxyphenyl)vinyl]-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, phenyl 4-C-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-, 2-(3,4,5-trihydroxybenzoate) [ACD/Index Name]
105304-51-6 [RN]
3,4',5-TOHS-2''-GGlc
3,4',5-Trihydroxystilbene-4'-O-(2''-O-galloyl)glucopyranoside
3,4',5-TRIHYDROXYSTILBENE-4'-O-(2'-O-GALLOYL)GLUCOPYRANOSIDE

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

Density: 1.7±0.1 g/cm3
Boiling Point: 913.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.2±3.0 kJ/mol
Flash Point: 307.1±27.8 °C
Index of Refraction: 1.758
Molar Refractivity: 133.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.81
ACD/KOC (pH 5.5): 618.21
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 36.82
ACD/KOC (pH 7.4): 407.81
Polar Surface Area: 207 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 110.4±5.0 dyne/cm
Molar Volume: 324.4±5.0 cm3

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