ChemSpider 2D Image | (5xi)-2-Acetamido-N-L-beta-aspartyl-2-deoxy-beta-D-xylo-hexopyranosylamine | C12H21N3O8

(5ξ)-2-Acetamido-N-L-β-aspartyl-2-deoxy-β-D-xylo-hexopyranosylamine

  • Molecular FormulaC12H21N3O8
  • Average mass335.310 Da
  • Monoisotopic mass335.132874 Da
  • ChemSpider ID29786653

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

(5ξ)-2-Acetamido-N-L-β-asparagyl-2-desoxy-β-D-xylo-hexopyranosylamin [German] [ACD/IUPAC Name]
(5ξ)-2-Acetamido-N-L-β-aspartyl-2-deoxy-β-D-xylo-hexopyranosylamine [ACD/IUPAC Name]
(5ξ)-2-Acétamido-N-L-β-aspartyl-2-désoxy-β-D-xylo-hexopyranosylamine [French] [ACD/IUPAC Name]
β-D-xylo-Hexopyranosylamine, 2-(acetylamino)-N-[(3S)-3-amino-3-carboxy-1-oxopropyl]-2-deoxy-, (5ξ)- [ACD/Index Name]
2776-93-4 [RN]
2-Acetamido-1-?-(L-aspartamido)-1,2-dideoxy-D-glucose
2-Acetamido-2-deoxy-b-D-glucopyranosyl L-asparagine
b-D-GlcNAc-(1?N)-Asn

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

Density: 1.5±0.1 g/cm3
Boiling Point: 818.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.4±6.0 kJ/mol
Flash Point: 448.8±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 74.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.64
ACD/LogD (pH 5.5): -5.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 83.9±5.0 dyne/cm
Molar Volume: 217.8±5.0 cm3

Click to predict properties on the Chemicalize site


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