ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 2-O-[(2R,3S,4S)-3,4-dihydroxy-4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}methyl)tetrahydro-2-furanyl]-alpha-D-mannopyranoside | C37H38O18

5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 2-O-[(2R,3S,4S)-3,4-dihydroxy-4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}methyl)tetrahydro-2-furanyl]-α-D-mannopyranoside

  • Molecular FormulaC37H38O18
  • Average mass770.687 Da
  • Monoisotopic mass770.205811 Da
  • ChemSpider ID113610179

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-O-[(2R,3S,4S)-3,4-Dihydroxy-4-({[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]oxy}méthyl)tétrahydro-2-furanyl]-α-D-mannopyranoside de 5-hydroxy-2-(4-hydroxyphényl)-7-méthoxy-4-oxo-4H-chromén-3 -yle [French] [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 2-O-[(2R,3S,4S)-3,4-dihydroxy-4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}methyl)tetrahydro-2-furanyl]-α-D-mannopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl-2-O-[(2R,3S,4S)-3,4-dihydroxy-4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}methyl)tetrahydro-2-furanyl]-α-D-mannopyranosid [German] [ACD/IUPAC Name]
α-D-Mannopyranoside, 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-3-yl 2-O-[(2R,3S,4S)-tetrahydro-3,4-dihydroxy-4-[[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]met hyl]-2-furanyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1056.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.0±3.0 kJ/mol
Flash Point: 328.4±27.8 °C
Index of Refraction: 1.715
Molar Refractivity: 183.7±0.4 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 8.86
ACD/KOC (pH 5.5): 154.18
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.28
Polar Surface Area: 270 Å2
Polarizability: 72.8±0.5 10-24cm3
Surface Tension: 98.3±5.0 dyne/cm
Molar Volume: 467.6±5.0 cm3

Click to predict properties on the Chemicalize site


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