ChemSpider 2D Image | 2-Acetamido-4-O-[2-(carboxyamino)-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-beta-D-glucopyranose | C15H26N2O12

2-Acetamido-4-O-[2-(carboxyamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranose

  • Molecular FormulaC15H26N2O12
  • Average mass426.373 Da
  • Monoisotopic mass426.148560 Da
  • ChemSpider ID17216232
  • 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-(carboxyamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-4-O-[2-(carboxyamino)-2-desoxy-β-D-glucopyranosyl]-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-4-O-[2-(carboxyamino)-2-désoxy-β-D-glucopyranosyl]-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 2-(acetylamino)-4-O-[2-(carboxyamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy- [ACD/Index Name]
(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-ylcarbamic acid
[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamic acid
N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3-(carboxyamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid

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

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 90.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.68
ACD/LogD (pH 5.5): -3.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 98.3±5.0 dyne/cm
Molar Volume: 253.6±5.0 cm3

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