ChemSpider 2D Image | 2-Ethylbutyl N-[(S)-(4-nitrophenoxy)(phenoxy)phosphoryl]-L-alaninate | C21H27N2O7P

2-Ethylbutyl N-[(S)-(4-nitrophenoxy)(phenoxy)phosphoryl]-L-alaninate

  • Molecular FormulaC21H27N2O7P
  • Average mass450.422 Da
  • Monoisotopic mass450.155579 Da
  • ChemSpider ID92170364

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1354823-36-1 [RN]
2-Ethylbutyl N-[(S)-(4-nitrophenoxy)(phenoxy)phosphoryl]-L-alaninate [ACD/IUPAC Name]
2-Ethylbutyl-N-[(S)-(4-nitrophenoxy)(phenoxy)phosphoryl]-L-alaninat [German] [ACD/IUPAC Name]
L-Alanine, N-[(S)-(4-nitrophenoxy)phenoxyphosphinyl]-, 2-ethylbutyl ester [ACD/Index Name]
N-[(S)-(4-Nitrophénoxy)(phénoxy)phosphoryl]-L-alaninate de 2-éthylbutyle [French] [ACD/IUPAC Name]
N-[(S)-(4-nitrophenoxy)phenoxyphosphinyl]-L-Alanine 2-ethylbutyl ester
(S)-2-Ethylbutyl 2-(((S)-(4-nitrophenoxy)(phenoxy)phosphoryl)amino)propanoate
2-ethylbutyl (2S)-2-{[(S)-(4-nitrophenoxy)(phenoxy)phosphoryl]amino}propanoate
MFCD32670644

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

Density: 1.2±0.1 g/cm3
Boiling Point: 546.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.3±32.9 °C
Index of Refraction: 1.546
Molar Refractivity: 114.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 783.33
ACD/KOC (pH 5.5): 4102.87
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 783.33
ACD/KOC (pH 7.4): 4102.87
Polar Surface Area: 129 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 362.9±3.0 cm3

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