ChemSpider 2D Image | 6-Methoxy-2-oxo-2H-chromen-7-yl 6-deoxy-L-mannopyranosyl-(1->2)-[6-deoxy-L-mannopyranosyl-(1->6)]-D-glucopyranoside | C28H38O17

6-Methoxy-2-oxo-2H-chromen-7-yl 6-deoxy-L-mannopyranosyl-(1->2)-[6-deoxy-L-mannopyranosyl-(1->6)]-D-glucopyranoside

  • Molecular FormulaC28H38O17
  • Average mass646.591 Da
  • Monoisotopic mass646.210876 Da
  • ChemSpider ID17472410
  • defined stereocentres - 12 of 15 defined stereocentres


More details:






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

2H-1-Benzopyran-2-one, 7-[[O-6-deoxy-L-mannopyranosyl-(1->2)-O-[6-deoxy-L-mannopyranosyl-(1->6)]-D-glucopyranosyl]oxy]-6-methoxy- [ACD/Index Name]
6-Désoxy-L-mannopyranosyl-(1->2)-[6-désoxy-L-mannopyranosyl-(1->6)]-D-glucopyranoside de 6-méthoxy-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
6-Methoxy-2-oxo-2H-chromen-7-yl 6-deoxy-L-mannopyranosyl-(1->2)-[6-deoxy-L-mannopyranosyl-(1->6)]-D-glucopyranoside [ACD/IUPAC Name]
6-Methoxy-2-oxo-2H-chromen-7-yl-6-desoxy-L-mannopyranosyl-(1->2)-[6-desoxy-L-mannopyranosyl-(1->6)]-D-glucopyranosid [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 923.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.7±3.0 kJ/mol
Flash Point: 299.7±27.8 °C
Index of Refraction: 1.658
Molar Refractivity: 146.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.81
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.51
ACD/LogD (pH 7.4): -1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.51
Polar Surface Area: 253 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 89.8±5.0 dyne/cm
Molar Volume: 397.2±5.0 cm3

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