ChemSpider 2D Image | N-[(trans-4-Isopropylcyclohexyl)carbonyl]-D-(2,3,4,5,6-~2~H_5_)phenylalanine | C19H22D5NO3

N-[(trans-4-Isopropylcyclohexyl)carbonyl]-D-(2,3,4,5,6-2H5)phenylalanine

  • Molecular FormulaC19H22D5NO3
  • Average mass322.453 Da
  • Monoisotopic mass322.230469 Da
  • ChemSpider ID24533651
  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

D-Phenylalanine-2,3,4,5,6-d5, N-[[trans-4-(1-methylethyl)cyclohexyl]carbonyl]- [ACD/Index Name]
N-[(trans-4-Isopropylcyclohexyl)carbonyl]-D-(2,3,4,5,6-2H5)phenylalanin [German] [ACD/IUPAC Name]
N-[(trans-4-Isopropylcyclohexyl)carbonyl]-D-(2,3,4,5,6-2H5)phenylalanine [ACD/IUPAC Name]
N-[(trans-4-Isopropylcyclohexyl)carbonyl]-D-(2,3,4,5,6-2H5)phénylalanine [French] [ACD/IUPAC Name]
1227666-13-8 [RN]
N-(trans-4-Isopropylcyclohexylcarboxyl)-D-phenylalanine
Nateglinide D5
Nateglinide-d5 (phenyl-d5)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 527.6±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 272.9±27.1 °C
Index of Refraction: 1.536
Molar Refractivity: 89.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 5.66
ACD/KOC (pH 5.5): 27.95
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.19
Polar Surface Area: 66 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 287.3±3.0 cm3

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