ChemSpider 2D Image | N-(4-Ethoxy-2-nitrophenyl)-N~2~-[(2R)-tetrahydro-2-furanylmethyl]-L-asparagine | C17H23N3O7

N-(4-Ethoxy-2-nitrophenyl)-N2-[(2R)-tetrahydro-2-furanylmethyl]-L-asparagine

  • Molecular FormulaC17H23N3O7
  • Average mass381.380 Da
  • Monoisotopic mass381.153595 Da
  • ChemSpider ID62563702
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S)-4-[(4-Ethoxy-2-nitrophenyl)amino]-4-oxo-2-{[(2R)-tetrahydro-2-furanylmethyl]ammonio}butanoat [German] [ACD/IUPAC Name]
(2S)-4-[(4-Ethoxy-2-nitrophenyl)amino]-4-oxo-2-{[(2R)-tetrahydro-2-furanylmethyl]ammonio}butanoate [ACD/IUPAC Name]
(2S)-4-[(4-Éthoxy-2-nitrophényl)amino]-4-oxo-2-{[(2R)-tétrahydro-2-furanylméthyl]ammonio}butanoate [French] [ACD/IUPAC Name]
2-Furanmethanaminium, N-[(1S)-1-carboxy-3-[(4-ethoxy-2-nitrophenyl)amino]-3-oxopropyl]tetrahydro-, inner salt, (2R)- [ACD/Index Name]
L-Asparagine, N-(4-ethoxy-2-nitrophenyl)-N2-[[(2R)-tetrahydro-2-furanyl]methyl]- [ACD/Index Name]
N-(4-Ethoxy-2-nitrophenyl)-N2-[(2R)-tetrahydro-2-furanylmethyl]-L-asparagin [German] [ACD/IUPAC Name]
N-(4-Ethoxy-2-nitrophenyl)-N2-[(2R)-tetrahydro-2-furanylmethyl]-L-asparagine [ACD/IUPAC Name]
N-(4-Éthoxy-2-nitrophényl)-N2-[(2R)-tétrahydro-2-furanylméthyl]-L-asparagine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 653.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 348.9±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 95.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.99
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 284.0±3.0 cm3

Click to predict properties on the Chemicalize site






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