ChemSpider 2D Image | DI(N-ACETYL-D-GLUCOSAMINE) | C16H28N2O11

DI(N-ACETYL-D-GLUCOSAMINE)

  • Molecular FormulaC16H28N2O11
  • Average mass424.400 Da
  • Monoisotopic mass424.169312 Da
  • ChemSpider ID26329889

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-Acetamido-4-O-(2-acetamido-2-deoxy-β-D-galactopyranosyl)-2-deoxy-β-D-galactopyranose [ACD/IUPAC Name]
2-Acetamido-4-O-(2-acetamido-2-desoxy-β-D-galactopyranosyl)-2-desoxy-β-D-galactopyranose [German] [ACD/IUPAC Name]
2-Acétamido-4-O-(2-acétamido-2-désoxy-β-D-galactopyranosyl)-2-désoxy-β-D-galactopyranose [French] [ACD/IUPAC Name]
DI(N-ACETYL-D-GLUCOSAMINE)
β-D-Galactopyranose, 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]-2-deoxy- [ACD/Index Name]
2-acetamido-2-deoxy-β-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-galacto-hexopyranose
missing
N-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
N-[(2R,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
WURCS=2.0/1,2,1/[a2112h-1b1-52*NCC/3=O]/1-1/a4-b1
  • Miscellaneous

    • Chemical Class:

      An amino disaccharide consisting of two 2-acetamido-beta-D-galactopyranse residues linked by a (1->4) glycosidic bond. ChEBI CHEBI:149012

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

Density: 1.6±0.1 g/cm3
Boiling Point: 902.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.9±6.0 kJ/mol
Flash Point: 499.5±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 93.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -2.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 82.7±5.0 dyne/cm
Molar Volume: 272.4±5.0 cm3

Click to predict properties on the Chemicalize site


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