ChemSpider 2D Image | (2xi)-2-Acetamido-3-O-[(1S)-1-carboxyethyl]-2-deoxy-D-arabino-hexopyranose | C11H19NO8

(2ξ)-2-Acetamido-3-O-[(1S)-1-carboxyethyl]-2-deoxy-D-arabino-hexopyranose

  • Molecular FormulaC11H19NO8
  • Average mass293.271 Da
  • Monoisotopic mass293.111053 Da
  • ChemSpider ID68894780

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(2ξ)-2-Acetamido-3-O-[(1S)-1-carboxyethyl]-2-deoxy-D-arabino-hexopyranose [ACD/IUPAC Name]
(2ξ)-2-Acetamido-3-O-[(1S)-1-carboxyethyl]-2-desoxy-D-arabino-hexopyranose [German] [ACD/IUPAC Name]
(2ξ)-2-Acétamido-3-O-[(1S)-1-carboxyéthyl]-2-désoxy-D-arabino-hexopyranose [French] [ACD/IUPAC Name]
D-arabino-Hexopyranose, 2-(acetylamino)-3-O-[(1S)-1-carboxyethyl]-2-deoxy-, (2ξ)- [ACD/Index Name]
N-Acetylmuramic acid [Wiki]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 696.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.6±6.0 kJ/mol
Flash Point: 375.0±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 64.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.59
ACD/LogD (pH 5.5): -3.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 199.6±5.0 cm3

Click to predict properties on the Chemicalize site


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