ChemSpider 2D Image | 2-[4-(beta-D-Glucopyranosyloxy)phenyl]-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside | C32H38O20

2-[4-(β-D-Glucopyranosyloxy)phenyl]-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside

  • Molecular FormulaC32H38O20
  • Average mass742.632 Da
  • Monoisotopic mass742.195618 Da
  • ChemSpider ID8570683

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

2-[4-(β-D-Glucopyranosyloxy)phenyl]-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-[4-(β-D-Glucopyranosyloxy)phenyl]-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de 2-[4-(β-D-glucopyranosyloxy)phényl]-5,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[4-(β-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-3-[[2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl]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: 1115.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 171.9±3.0 kJ/mol
Flash Point: 353.1±27.8 °C
Index of Refraction: 1.758
Molar Refractivity: 165.8±0.4 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -2.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.59
ACD/LogD (pH 7.4): -3.53
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: 127.9±5.0 dyne/cm
Molar Volume: 403.6±5.0 cm3

Click to predict properties on the Chemicalize site


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