ChemSpider 2D Image | N-(Hydroxy{(2R,3S)-3-[hydroxy(propylimino)methyl]-2-oxiranyl}methylene)-L-isoleucyl-L-proline | C18H29N3O6

N-(Hydroxy{(2R,3S)-3-[hydroxy(propylimino)methyl]-2-oxiranyl}methylene)-L-isoleucyl-L-proline

  • Molecular FormulaC18H29N3O6
  • Average mass383.439 Da
  • Monoisotopic mass383.205627 Da
  • ChemSpider ID57643570

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Proline, N-[hydroxy[(2R,3S)-3-[hydroxy(propylimino)methyl]oxiranyl]methylene]-L-isoleucyl- [ACD/Index Name]
N-(Hydroxy{(2R,3S)-3-[hydroxy(propylimino)methyl]-2-oxiranyl}methylen)-L-isoleucyl-L-prolin [German] [ACD/IUPAC Name]
N-(Hydroxy{(2R,3S)-3-[hydroxy(propylimino)methyl]-2-oxiranyl}methylene)-L-isoleucyl-L-proline [ACD/IUPAC Name]
N-(Hydroxy{(2R,3S)-3-[hydroxy(propylimino)méthyl]-2-oxiranyl}méthylène)-L-isoleucyl-L-proline [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: 644.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.9±6.0 kJ/mol
Flash Point: 343.4±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 95.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): -2.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 275.8±7.0 cm3

Click to predict properties on the Chemicalize site


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