ChemSpider 2D Image | MFCD00038097 | C12H15N3O6

MFCD00038097

  • Molecular FormulaC12H15N3O6
  • Average mass297.264 Da
  • Monoisotopic mass297.096100 Da
  • ChemSpider ID18537684

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2-[(2,4-dinitrophenyl)amino]-3-methylpentanoic acid
1655-56-7 [RN]
DNP-L-Isoleucine
L-Isoleucine, N-(2,4-dinitrophenyl)- [ACD/Index Name]
MFCD00038097
N-(2,4-Dinitrophenyl)-L-isoleucin [German] [ACD/IUPAC Name]
N-(2,4-Dinitrophenyl)-L-isoleucine [ACD/IUPAC Name]
N-(2,4-Dinitrophényl)-L-isoleucine [French] [ACD/IUPAC Name]
(2S,3S)-2-((2,4-Dinitrophenyl)amino)-3-methylpentanoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 509.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 262.1±30.1 °C
Index of Refraction: 1.616
Molar Refractivity: 73.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.15
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 210.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement