ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-[(4xi)-6-deoxy-alpha-L-lyxo-hexopyranosyl]-2-O-[(2S)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-alpha-L-galactopyranoside | C32H38O20

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-[(4ξ)-6-deoxy-α-L-lyxo-hexopyranosyl]-2-O-[(2S)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-L-galactopyranoside

  • Molecular FormulaC32H38O20
  • Average mass742.632 Da
  • Monoisotopic mass742.195618 Da
  • ChemSpider ID28288781

  • defined stereocentres - 10 of 13 defined stereocentres

More details:

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2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-[(4ξ)-6-deoxy-α-L-lyxo-hexopyranosyl]-2-O-[(2S)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-L-galactopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-6-O-[(4ξ)-6-desoxy-α-L-lyxo-hexopyranosyl]-2-O-[(2S)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-L-galactopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[6-O-[(4ξ)-6-deoxy-α-L-lyxo-hexopyranosyl]-2-O-[(2S)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-α-L-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihy droxy- [ACD/Index Name]
6-O-[(4ξ)-6-Désoxy-α-L-lyxo-hexopyranosyl]-2-O-[(2S)-3,4-dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-α-L-galactopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
quercetin 3-O-b-D-apiofuranosyl-(1®2)-[a-L-rhamnopyranosyl-(1®6)]-b-D-glucopyranoside

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1113.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 171.6±3.0 kJ/mol
Flash Point: 352.6±27.8 °C
Index of Refraction: 1.759
Molar Refractivity: 165.8±0.4 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.63
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.06
ACD/LogD (pH 7.4): -2.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 324 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 127.8±5.0 dyne/cm
Molar Volume: 403.2±5.0 cm3

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