ChemSpider 2D Image | Ethyl N-(methoxycarbonyl)-3-(nitroamino)-L-alaninate | C7H13N3O6

Ethyl N-(methoxycarbonyl)-3-(nitroamino)-L-alaninate

  • Molecular FormulaC7H13N3O6
  • Average mass235.195 Da
  • Monoisotopic mass235.080429 Da
  • ChemSpider ID57483991

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Ethyl N-(methoxycarbonyl)-3-(nitroamino)-L-alaninate [ACD/IUPAC Name]
Ethyl-N-(methoxycarbonyl)-3-(nitroamino)-L-alaninat [German] [ACD/IUPAC Name]
L-Alanine, N-(methoxycarbonyl)-3-(nitroamino)-, ethyl ester [ACD/Index Name]
N-(Méthoxycarbonyl)-3-(nitroamino)-L-alaninate d'éthyle [French] [ACD/IUPAC Name]
ETHYL (2S)-2-[(METHOXYCARBONYL)AMINO]-3-(NITROAMINO)PROPANOATE

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.475
Molar Refractivity: 51.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.77
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.71
Polar Surface Area: 122 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 181.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement