ChemSpider 2D Image | 2-Amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-allopyranose | C9H17NO7

2-Amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-β-D-allopyranose

  • Molecular FormulaC9H17NO7
  • Average mass251.234 Da
  • Monoisotopic mass251.100494 Da
  • ChemSpider ID17216223

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1114-41-6 [RN]
2-Amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-β-D-allopyranose [ACD/IUPAC Name]
2-Amino-3-O-[(1R)-1-carboxyethyl]-2-desoxy-β-D-allopyranose [German] [ACD/IUPAC Name]
2-Amino-3-O-[(1R)-1-carboxyéthyl]-2-désoxy-β-D-allopyranose [French] [ACD/IUPAC Name]
β-D-Allopyranose, 2-amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy- [ACD/Index Name]
(+)-Muramate
(+)-Muramic acid
3-O-α-CARBOXYETHYL-D-GLUCOSAMINE
3-O-α-Carboxyethyl-δ-glucosamine
Muramate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 572.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.5±6.0 kJ/mol
Flash Point: 300.0±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 54.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.19
ACD/LogD (pH 5.5): -4.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 77.3±5.0 dyne/cm
Molar Volume: 166.0±5.0 cm3

Click to predict properties on the Chemicalize site


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