ChemSpider 2D Image | 7-O-(6-feruoylglucosyl)isoorientin | C37H38O19

7-O-(6-feruoylglucosyl)isoorientin

  • Molecular FormulaC37H38O19
  • Average mass786.686 Da
  • Monoisotopic mass786.200745 Da
  • ChemSpider ID30785650

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-({6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-D-glucopyranosyl}oxy)-4-oxo-4H-chromen-6-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-({6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-D-glucopyranosyl}oxy)-4-oxo-4H-chromen-6-yl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[2-(3,4-dihydroxyphényl)-5-hydroxy-7-({6-O-[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]-D-glucopyranosyl}oxy)-4-oxo-4H-chromén-6-yl]-D-glucitol [French] [ACD/IUPAC Name]
7-O-(6-feruoylglucosyl)isoorientin
D-Glucitol, 1,5-anhydro-1-C-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-D-glucopyranosyl]oxy]-4-oxo-4H-1-benzopyran-6-yl]-, (1S)- [ACD/Index Name]
(1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-({6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-D-glucopyranosyl}oxy)-4-oxo-4N-chromen-6-yl]-D-glucitol

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1078.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.6±3.0 kJ/mol
Flash Point: 334.3±27.8 °C
Index of Refraction: 1.726
Molar Refractivity: 188.3±0.3 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.20
ACD/LogD (pH 7.4): -1.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 312 Å2
Polarizability: 74.7±0.5 10-24cm3
Surface Tension: 95.4±3.0 dyne/cm
Molar Volume: 473.7±3.0 cm3

Click to predict properties on the Chemicalize site


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