ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-2-O-[(2S,3R,4S)-3,4-dihydroxy-4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}methyl)tetrahydro -2-furanyl]-beta-D-glucopyranoside | C42H46O23

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-2-O-[(2S,3R,4S)-3,4-dihydroxy-4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}methyl)tetrahydro -2-furanyl]-β-D-glucopyranoside

  • Molecular FormulaC42H46O23
  • Average mass918.801 Da
  • Monoisotopic mass918.242981 Da
  • ChemSpider ID90655591

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-2-O-[(2S,3R,4S)-3,4-dihydroxy-4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}methyl)tetrahydro -2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-6-O-(6-desoxy-α-L-mannopyranosyl)-2-O-[(2S,3R,4S)-3,4-dihydroxy-4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}methyl)tetrahydr o-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-2-O-[(2S,3R,4S)-3,4-dihydroxy-4-({[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]oxy}méthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de 2-(3,4-dihydroxyphény l)-5,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-2-O-[(2S,3R,4S)-tetrahydro-3,4-dihydroxy-4-[[[(2E)-3-(4-hydroxy-3-methoxyp henyl)-1-oxo-2-propen-1-yl]oxy]methyl]-2-furanyl]- [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: 1194.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 185.5±3.0 kJ/mol
Flash Point: 357.6±27.8 °C
Index of Refraction: 1.743
Molar Refractivity: 212.5±0.4 cm3
#H bond acceptors: 23
#H bond donors: 12
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 2.35
ACD/KOC (pH 5.5): 60.59
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.14
Polar Surface Area: 360 Å2
Polarizability: 84.3±0.5 10-24cm3
Surface Tension: 114.7±5.0 dyne/cm
Molar Volume: 525.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement