ChemSpider 2D Image | L-Valyl-4-[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-3-yl]-L-allothreonine | C14H23N3O6

L-Valyl-4-[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-3-yl]-L-allothreonine

  • Molecular FormulaC14H23N3O6
  • Average mass329.349 Da
  • Monoisotopic mass329.158691 Da
  • ChemSpider ID110803860

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Allothreonine, L-valyl-4-[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-3-yl]- [ACD/Index Name]
L-Valyl-4-[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-3-yl]-L-allothreonin [German] [ACD/IUPAC Name]
L-Valyl-4-[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-3-yl]-L-allothreonine [ACD/IUPAC Name]
L-Valyl-4-[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-3-yl]-L-allothréonine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 658.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±6.0 kJ/mol
Flash Point: 352.2±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 79.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -2.33
ACD/LogD (pH 5.5): -4.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 235.5±5.0 cm3

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