ChemSpider 2D Image | 5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID | C13H23N3O5

5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

  • Molecular FormulaC13H23N3O5
  • Average mass301.339 Da
  • Monoisotopic mass301.163757 Da
  • ChemSpider ID26329755

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,4R,5S,6S)-5-Acetamido-4-amino-6-(diethylcarbamoyl)tetrahydro-2H-pyran-2-carbonsäure [German] [ACD/IUPAC Name]
(2R,4R,5S,6S)-5-Acetamido-4-amino-6-(diethylcarbamoyl)tetrahydro-2H-pyran-2-carboxylic acid [ACD/IUPAC Name]
5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Acide (2R,4R,5S,6S)-5-acétamido-4-amino-6-(diéthylcarbamoyl)tétrahydro-2H-pyrane-2-carboxylique [French] [ACD/IUPAC Name]
(2R,4R,5S,6S)-4-amino-6-(diethylcarbamoyl)-5-acetamidooxane-2-carboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 591.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 96.4±6.0 kJ/mol
Flash Point: 311.8±30.1 °C
Index of Refraction: 1.538
Molar Refractivity: 74.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.32
ACD/LogD (pH 5.5): -3.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 239.5±5.0 cm3

Click to predict properties on the Chemicalize site


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