ChemSpider 2D Image | 4-(3,5-Dihydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)phenyl beta-D-glucopyranosyl-(1->2)-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranoside | C34H42O20

4-(3,5-Dihydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)phenyl β-D-glucopyranosyl-(1->2)-6-deoxy-α-L-mannopyranosyl-(1->6)-β-D-glucopyranoside

  • Molecular FormulaC34H42O20
  • Average mass770.685 Da
  • Monoisotopic mass770.226929 Da
  • ChemSpider ID29418873

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

4-(3,5-Dihydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)phenyl β-D-glucopyranosyl-(1->2)-6-deoxy-α-L-mannopyranosyl-(1->6)-β-D-glucopyranoside [ACD/IUPAC Name]
4-(3,5-Dihydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)phenyl-β-D-glucopyranosyl-(1->2)-6-desoxy-α-L-mannopyranosyl-(1->6)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[4-[[O-β-D-glucopyranosyl-(1->;2)-O-6-deoxy-α-L-mannopyranosyl-(1->6)-β-D-glucopyranosyl]oxy]phenyl]-3,5-dihydroxy-7-methoxy- [ACD/Index Name]
β-D-Glucopyranosyl-(1->2)-6-désoxy-α-L-mannopyranosyl-(1->6)-β-D-glucopyranoside de 4-(3,5-dihydroxy-7-méthoxy-4-oxo-4H-chromén-2-yl)phényle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1061.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.9±3.0 kJ/mol
Flash Point: 331.6±27.8 °C
Index of Refraction: 1.715
Molar Refractivity: 175.2±0.4 cm3
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.48
ACD/LogD (pH 5.5): -1.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.49
ACD/LogD (pH 7.4): -2.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 313 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 108.4±5.0 dyne/cm
Molar Volume: 445.8±5.0 cm3

Click to predict properties on the Chemicalize site


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