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

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

  • Molecular FormulaC37H38O18
  • Average mass770.687 Da
  • Monoisotopic mass770.205811 Da
  • ChemSpider ID59696235

  • 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-[5-hydroxy-7-({6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-D-glucopyranosyl}oxy)-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[5-hydroxy-7-({6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-D-glucopyranosyl}oxy)-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[5-hydroxy-7-({6-O-[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]-D-glucopyranosyl}oxy)-2-(4-hydroxyphényl)-4-oxo-4H-chromén-6-yl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[5-hydroxy-7-[[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-, (1S)- [ACD/Index Name]
[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
212271-12-0 [RN]
Isovitexin 7-(6'''-(E)-p-feruloylglucoside)

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1043.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.9±3.0 kJ/mol
Flash Point: 324.4±27.8 °C
Index of Refraction: 1.714
Molar Refractivity: 186.4±0.3 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.87
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 292 Å2
Polarizability: 73.9±0.5 10-24cm3
Surface Tension: 90.3±3.0 dyne/cm
Molar Volume: 475.3±3.0 cm3

Click to predict properties on the Chemicalize site


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