ChemSpider 2D Image | 3-{[(3-Carbamoyl-2-oxiranyl)carbonyl]amino}alanylvaline | C12H20N4O6

3-{[(3-Carbamoyl-2-oxiranyl)carbonyl]amino}alanylvaline

  • Molecular FormulaC12H20N4O6
  • Average mass316.310 Da
  • Monoisotopic mass316.138275 Da
  • ChemSpider ID34525375

More details:

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

3-{[(3-Carbamoyl-2-oxiranyl)carbonyl]amino}alanylvalin [German] [ACD/IUPAC Name]
3-{[(3-Carbamoyl-2-oxiranyl)carbonyl]amino}alanylvaline [ACD/IUPAC Name]
3-{[(3-Carbamoyl-2-oxiranyl)carbonyl]amino}alanylvaline [French] [ACD/IUPAC Name]
Valine, 3-[[[3-(aminocarbonyl)oxiranyl]carbonyl]amino]alanyl- [ACD/Index Name]
3-({[(2R,3R)-3-carbamoyloxiran-2-yl]carbonyl}amino)-L-alanyl-L-valine
C20965
N(β)-Epoxysuccinamoyl-DAP-Val
N(β)-Epoxysuccinamoyl-diaminopropionyl-valine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 798.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 126.1±6.0 kJ/mol
Flash Point: 436.4±32.9 °C
Index of Refraction: 1.564
Molar Refractivity: 72.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.83
ACD/LogD (pH 5.5): -5.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 69.1±3.0 dyne/cm
Molar Volume: 223.7±3.0 cm3

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