ChemSpider 2D Image | Alaremycin 2 | C8H13NO4

Alaremycin 2

  • Molecular FormulaC8H13NO4
  • Average mass187.193 Da
  • Monoisotopic mass187.084457 Da
  • ChemSpider ID25056569

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-5-Acetamido-4-oxohexanoic acid [ACD/IUPAC Name]
(5R)-5-Acetamido-4-oxohexansäure [German] [ACD/IUPAC Name]
Acide (5R)-5-acétamido-4-oxohexanoïque [French] [ACD/IUPAC Name]
Alaremycin 2
Hexanoic acid, 5-(acetylamino)-4-oxo-, (5R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 439.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±6.0 kJ/mol
Flash Point: 219.8±23.2 °C
Index of Refraction: 1.470
Molar Refractivity: 44.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.65
ACD/LogD (pH 5.5): -1.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.05
ACD/LogD (pH 7.4): -3.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 158.6±3.0 cm3

Click to predict properties on the Chemicalize site


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