ChemSpider 2D Image | 4-[(2S)-7-Hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl 2-O-[(2S,3S)-3,4-dihydroxy-4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}methyl)tetrahydro-2-furanyl]-beta-D-threo-hexopyranoside | C36H38O16

4-[(2S)-7-Hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl 2-O-[(2S,3S)-3,4-dihydroxy-4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}methyl)tetrahydro-2-furanyl]-β-D-threo-hexopyranoside

  • Molecular FormulaC36H38O16
  • Average mass726.677 Da
  • Monoisotopic mass726.216003 Da
  • ChemSpider ID24846229

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 9 defined stereocentres

More details:

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

2-O-[(2S,3S)-3,4-Dihydroxy-4-({[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]oxy}méthyl)tétrahydro-2-furanyl]-β-D-thréo-hexopyranoside de 4-[(2S)-7-hydroxy-4-oxo-3,4-dihydro-2H-chromén-2-yl]phény le [French] [ACD/IUPAC Name]
4-[(2S)-7-Hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl 2-O-[(2S,3S)-3,4-dihydroxy-4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}methyl)tetrahydro-2-furanyl]-β-D-threo-hexopyranoside [ACD/IUPAC Name]
4-[(2S)-7-Hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl-2-O-[(2S,3S)-3,4-dihydroxy-4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}methyl)tetrahydro-2-furanyl]-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
β-D-threo-Hexopyranoside, 4-[(2S)-3,4-dihydro-7-hydroxy-4-oxo-2H-1-benzopyran-2-yl]phenyl 2-O-[(2S,3S)-tetrahydro-3,4-dihydroxy-4-[[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]methy l]-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: 1007.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.0±3.0 kJ/mol
Flash Point: 316.0±27.8 °C
Index of Refraction: 1.699
Molar Refractivity: 176.3±0.4 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.98
ACD/KOC (pH 5.5): 139.59
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 4.65
ACD/KOC (pH 7.4): 92.97
Polar Surface Area: 240 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 92.1±5.0 dyne/cm
Molar Volume: 456.6±5.0 cm3

Click to predict properties on the Chemicalize site


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