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Search term: 24844979 (Found by CSID)
ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-beta-D-threo-hexopyranosyl}-beta-D-threo-hexopyranoside | C37H38O20

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-threo-hexopyranosyl}-β-D-threo-hexopyranoside

  • Molecular FormulaC37H38O20
  • Average mass802.686 Da
  • Monoisotopic mass802.195618 Da
  • ChemSpider ID24844979

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 10 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 2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-threo-hexopyranosyl}-β-D-threo-hexopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-threo-hexopyranosyl}-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
2-O-{2-O-[(2E)-3-(4-Hydroxy-3-méthoxyphényl)-2-propenoyl]-β-D-thréo-hexopyranosyl}-β-D-thréo-hexopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-threo-hexopyranosyl]-β-D-threo-hexopyranosyl]oxy]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1128.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 174.2±3.0 kJ/mol
Flash Point: 349.3±27.8 °C
Index of Refraction: 1.758
Molar Refractivity: 186.4±0.4 cm3
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.87
ACD/KOC (pH 5.5): 69.90
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.47
Polar Surface Area: 321 Å2
Polarizability: 73.9±0.5 10-24cm3
Surface Tension: 118.8±5.0 dyne/cm
Molar Volume: 454.1±5.0 cm3

Click to predict properties on the Chemicalize site


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