ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl (4xi)-6-O-[(4xi)-6-deoxy-D-ribo-hexopyranosyl]-2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-alpha-L-xylo-hexopyranoside | C37H38O18

5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl (4ξ)-6-O-[(4ξ)-6-deoxy-D-ribo-hexopyranosyl]-2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-α-L-xylo-hexopyranoside

  • Molecular FormulaC37H38O18
  • Average mass770.687 Da
  • Monoisotopic mass770.205811 Da
  • ChemSpider ID28288498

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 10 defined stereocentres

More details:

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(4ξ)-6-O-[(4ξ)-6-Désoxy-D-ribo-hexopyranosyl]-2-O-[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]-α-L-xylo-hexopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[(4ξ)-6-O-[(4ξ)-6-deoxy-D-ribo-hexopyranosyl]-2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-α-L-xylo-hexopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl) - [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl (4ξ)-6-O-[(4ξ)-6-deoxy-D-ribo-hexopyranosyl]-2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-α-L-xylo-hexopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-(4ξ)-6-O-[(4ξ)-6-desoxy-D-ribo-hexopyranosyl]-2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-α-L-xylo-hexopyranosid [German] [ACD/IUPAC Name]
kaempferol 3-O-a-rhamnopyranosyl-(1'''®6'')

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1049.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.9±3.0 kJ/mol
Flash Point: 326.3±27.8 °C
Index of Refraction: 1.728
Molar Refractivity: 183.4±0.4 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 10.98
ACD/KOC (pH 5.5): 183.50
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.00
Polar Surface Area: 281 Å2
Polarizability: 72.7±0.5 10-24cm3
Surface Tension: 103.1±5.0 dyne/cm
Molar Volume: 460.3±5.0 cm3

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