ChemSpider 2D Image | alpha-D-Glucopyranosyl 2-deoxy-beta-D-arabino-hexopyranosyl-(1->2)-2-C-acetamido-1-C-methyl-alpha-D-glucopyranoside | C21H37NO16

α-D-Glucopyranosyl 2-deoxy-β-D-arabino-hexopyranosyl-(1->2)-2-C-acetamido-1-C-methyl-α-D-glucopyranoside

  • Molecular FormulaC21H37NO16
  • Average mass559.516 Da
  • Monoisotopic mass559.211243 Da
  • ChemSpider ID169604

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

2-Désoxy-β-D-arabino-hexopyranosyl-(1->2)-2-C-acétamido-1-C-méthyl-α-D-glucopyranoside de α-D-glucopyranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, O-2-deoxy-β-D-arabino-hexopyranosyl-(1->3)-3-C-(acetylamino)-1-deoxy-α-D-gluco-2-heptulopyranosyl [ACD/Index Name]
α-D-Glucopyranosyl 2-deoxy-β-D-arabino-hexopyranosyl-(1->2)-2-C-acetamido-1-C-methyl-α-D-glucopyranoside [ACD/IUPAC Name]
α-D-Glucopyranosyl-2-desoxy-β-D-arabino-hexopyranosyl-(1->2)-2-C-acetamido-1-C-methyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
130051-18-2 [RN]
m-Ac-Dglu-glu-glu
METHYL O-(2-ACETAMIDO-2-DEOXY-SS-GLUCOPYRANOSYL)-(1-6)-O-A-GLUCOPYRANOSYL-(1-2)-A-GLUCOPYRANOSIDE
methyl O-(2-acetamido-2-deoxy-β-glucopyranosyl)-(1-6)-O-α-glucopyranosyl-(1-2)-α-glucopyr
Methyl O-(2-acetamido-2-deoxy-β-glucopyranosyl)-(1-6)-O-α-glucopyranosyl-(1-2)-α-glucopyranoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 935.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 154.4±6.0 kJ/mol
Flash Point: 519.6±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 120.7±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.65
ACD/LogD (pH 5.5): -2.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 278 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 101.3±5.0 dyne/cm
Molar Volume: 332.9±5.0 cm3

Click to predict properties on the Chemicalize site


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