ChemSpider 2D Image | 5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-6-ISOBUTOXY-4H-PYRAN-2-CARBOXYLIC ACID | C12H19NO6

5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-6-ISOBUTOXY-4H-PYRAN-2-CARBOXYLIC ACID

  • Molecular FormulaC12H19NO6
  • Average mass273.282 Da
  • Monoisotopic mass273.121246 Da
  • ChemSpider ID25057966
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-6-ISOBUTOXY-4H-PYRAN-2-CARBOXYLIC ACID
Acide 2-acétamido-2,4-didésoxy-α-L-thréo-hex-4-énopyranosiduronique d'isobutyle [French] [ACD/IUPAC Name]
Isobutyl 2-acetamido-2,4-dideoxy-α-L-threo-hex-4-enopyranosiduronic acid [ACD/IUPAC Name]
Isobutyl-2-acetamido-2,4-didesoxy-α-L-threo-hex-4-enopyranosiduronsäure [German] [ACD/IUPAC Name]
α-L-threo-Hex-4-enopyranosiduronic acid, 2-methylpropyl 2-(acetylamino)-2,4-dideoxy- [ACD/Index Name]
(2R,3R,4S)-3-acetamido-4-hydroxy-2-(2-methylpropoxy)-3,4-dihydro-2H-pyran-6-carboxylic acid
(4S,5R,6R)-5-acetamido-4-hydroxy-6-(2-methylpropoxy)-5,6-dihydro-4H-pyran-2-carboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 541.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.2±6.0 kJ/mol
Flash Point: 281.4±30.1 °C
Index of Refraction: 1.528
Molar Refractivity: 65.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.04
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 213.0±5.0 cm3

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