ChemSpider 2D Image | N-{[(2,2,2-~2~H_3_)Ethyloxy]carbonyl}-L-valine | C8H12D3NO4

N-{[(2,2,2-2H3)Ethyloxy]carbonyl}-L-valine

  • Molecular FormulaC8H12D3NO4
  • Average mass192.227 Da
  • Monoisotopic mass192.118942 Da
  • ChemSpider ID58783510

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

L-Valine, N-[(ethyl-2,2,2-d3-oxy)carbonyl]- [ACD/Index Name]
N-{[(2,2,2-2H3)Ethyloxy]carbonyl}-L-valin [German] [ACD/IUPAC Name]
N-{[(2,2,2-2H3)Ethyloxy]carbonyl}-L-valine [ACD/IUPAC Name]
N-{[(2,2,2-2H3)Éthyloxy]carbonyl}-L-valine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 328.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 62.8±6.0 kJ/mol
Flash Point: 152.4±23.2 °C
Index of Refraction: 1.459
Molar Refractivity: 46.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 168.3±3.0 cm3

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