ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-[(4xi)-6-deoxy-L-lyxo-hexopyranosyl]-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-alpha-D-altropyranoside | C38H40O19

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

  • Molecular FormulaC38H40O19
  • Average mass800.713 Da
  • Monoisotopic mass800.216370 Da
  • ChemSpider ID28283560

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 10 defined stereocentres

More details:

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2-O-[(4ξ)-6-Désoxy-L-lyxo-hexopyranosyl]-6-O-[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]-α-D-altropyranoside de 5,7-dihydroxy-2-(4-hydroxy-3-méthoxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[2-O-[(4ξ)-6-deoxy-L-lyxo-hexopyranosyl]-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-α-D-altropyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl) - [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-[(4ξ)-6-deoxy-L-lyxo-hexopyranosyl]-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-α-D-altropyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl-2-O-[(4ξ)-6-desoxy-L-lyxo-hexopyranosyl]-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-α-D-altropyranosid [German] [ACD/IUPAC Name]
isorhamnetin 3-O-(6''-O-E-feruloyl)neohesperidoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1076.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.4±3.0 kJ/mol
Flash Point: 331.6±27.8 °C
Index of Refraction: 1.718
Molar Refractivity: 189.7±0.4 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 6.74
ACD/KOC (pH 5.5): 128.93
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.51
Polar Surface Area: 290 Å2
Polarizability: 75.2±0.5 10-24cm3
Surface Tension: 100.6±5.0 dyne/cm
Molar Volume: 481.6±5.0 cm3

Click to predict properties on the Chemicalize site


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