ChemSpider 2D Image | Methyl beta-D-(C~1~,C~2~,C~3~,C~4~,C~6~,C~6~-~2~H_6_)glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-alpha-D-mannopyranoside | C19H28D6O16

Methyl β-D-(C1,C2,C3,C4,C6,C6-2H6)glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-α-D-mannopyranoside

  • Molecular FormulaC19H28D6O16
  • Average mass524.501 Da
  • Monoisotopic mass524.222351 Da
  • ChemSpider ID8919949

  • defined stereocentres - 15 of 15 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Methyl β-D-(C1,C2,C3,C4,C6,C6-2H6)glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-α-D-mannopyranoside [ACD/IUPAC Name]
Methyl-β-D-(C1,C2,C3,C4,C6,C6-2H6)glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-α-D-mannopyranosid [German] [ACD/IUPAC Name]
α-D-Mannopyranoside, methyl O-β-D-glucopyranosyl-C1,C2,C3,C4,C6,C6-d6-(1->2)-O-[β-D-glucopyranosyl-(1->3)]- [ACD/Index Name]
β-D-(C1,C2,C3,C4,C6,C6-2H6)Glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-α-D-mannopyranoside de méthyle [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: 840.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.9±6.0 kJ/mol
Flash Point: 462.1±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 109.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.57
ACD/LogD (pH 5.5): -5.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 258 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 101.9±5.0 dyne/cm
Molar Volume: 303.5±5.0 cm3

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