ChemSpider 2D Image | 2-Acetamido-2-deoxy-beta-D-glucopyranosyl beta-D-galactopyranosyl-(1->3)-2-acetamido-1-C-benzyl-2-deoxy-alpha-D-galactopyranoside | C29H44N2O16

2-Acetamido-2-deoxy-β-D-glucopyranosyl β-D-galactopyranosyl-(1->3)-2-acetamido-1-C-benzyl-2-deoxy-α-D-galactopyranoside

  • Molecular FormulaC29H44N2O16
  • Average mass676.664 Da
  • Monoisotopic mass676.269104 Da
  • ChemSpider ID170451

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-β-D-glucopyranosyl β-D-galactopyranosyl-(1->3)-2-acetamido-1-C-benzyl-2-deoxy-α-D-galactopyranoside [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-glucopyranosyl-β-D-galactopyranosyl-(1->3)-2-acetamido-1-C-benzyl-2-desoxy-α-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->3)-2-acétamido-1-C-benzyl-2-désoxy-α-D-galactopyranoside de 2-acétamido-2-désoxy-β-D-glucopyranosyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, O-β-D-galactopyranosyl-(1->4)-3-(acetylamino)-1,3-dideoxy-1-phenyl-α-D-galacto-2-heptulopyranosyl 2-(acetylamino)-2-deoxy- [ACD/Index Name]
124040-62-6 [RN]
benzyl O-galactopyranosyl-(1-3)-O-(2-acetamido-2-deoxyglucopyranosyl)-(1-6)-2-acetamido-2-deoxygalac
Benzyl O-galactopyranosyl-(1-3)-O-(2-acetamido-2-deoxyglucopyranosyl)-(1-6)-2-acetamido-2-deoxygalactopyranoside
Bgadgg

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1054.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.7±3.0 kJ/mol
Flash Point: 591.4±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 156.9±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.85
ACD/LogD (pH 5.5): -2.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.17
ACD/LogD (pH 7.4): -2.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.17
Polar Surface Area: 286 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 89.8±5.0 dyne/cm
Molar Volume: 430.8±5.0 cm3

Click to predict properties on the Chemicalize site


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