ChemSpider 2D Image | 1,2-di-O-sinapoyl-beta-D-glucose | C28H32O14

1,2-di-O-sinapoyl-β-D-glucose

  • Molecular FormulaC28H32O14
  • Average mass592.545 Da
  • Monoisotopic mass592.179199 Da
  • ChemSpider ID4444262
  • 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

1,2-Bis-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1,2-Bis-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-β-D-glucopyranose [ACD/IUPAC Name]
1,2-Bis-O-[(2E)-3-(4-hydroxy-3,5-diméthoxyphényl)-2-propenoyl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
1,2-di-O-sinapoyl-β-D-glucose
β-D-Glucopyranose, 1,2-bis-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
1,2-bis-O-sinapoyl β-D-glucoside
1,2-bis-O-sinapoyl-β-D-glucoside
1-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-β-D-glucopyranose
sinapoyl 2-O-sinapoyl-β-D-glucoside

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

CHEBI:27993 [DBID]
C04275 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 803.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.5±3.0 kJ/mol
Flash Point: 261.5±27.8 °C
Index of Refraction: 1.634
Molar Refractivity: 143.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.03
ACD/KOC (pH 5.5): 94.43
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 4.00
ACD/KOC (pH 7.4): 93.58
Polar Surface Area: 200 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 75.6±5.0 dyne/cm
Molar Volume: 400.5±5.0 cm3

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