ChemSpider 2D Image | (1S)-1,5-Anhydro-1-{2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4-oxo-4H-chromen-6-yl}-2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-D-glucitol | C37H38O18

(1S)-1,5-Anhydro-1-{2-[4-(β-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4-oxo-4H-chromen-6-yl}-2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-D-glucitol

  • Molecular FormulaC37H38O18
  • Average mass770.687 Da
  • Monoisotopic mass770.205811 Da
  • ChemSpider ID115269363

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-{2-[4-(β-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4-oxo-4H-chromen-6-yl}-2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{2-[4-(β-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4-oxo-4H-chromen-6-yl}-2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{2-[4-(β-D-glucopyranosyloxy)phényl]-5,7-dihydroxy-4-oxo-4H-chromén-6-yl}-2-O-[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[2-[4-(β-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4-oxo-4H-1-benzopyran-6-yl]-2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-, (1S)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1073.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.8±3.0 kJ/mol
Flash Point: 333.8±27.8 °C
Index of Refraction: 1.748
Molar Refractivity: 183.4±0.4 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.86
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.20
ACD/LogD (pH 7.4): -2.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 292 Å2
Polarizability: 72.7±0.5 10-24cm3
Surface Tension: 111.2±5.0 dyne/cm
Molar Volume: 451.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement