ChemSpider 2D Image | N-[(cis-4-Isopropylcyclohexyl)carbonyl]-D-phenylalanine | C19H27NO3

N-[(cis-4-Isopropylcyclohexyl)carbonyl]-D-phenylalanine

  • Molecular FormulaC19H27NO3
  • Average mass317.423 Da
  • Monoisotopic mass317.199097 Da
  • ChemSpider ID28942121

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

D-Phenylalanine, N-[[cis-4-(1-methylethyl)cyclohexyl]carbonyl]- [ACD/Index Name]
N-[(cis-4-Isopropylcyclohexyl)carbonyl]-D-phenylalanin [German] [ACD/IUPAC Name]
N-[(cis-4-Isopropylcyclohexyl)carbonyl]-D-phenylalanine [ACD/IUPAC Name]
N-[(cis-4-Isopropylcyclohexyl)carbonyl]-D-phénylalanine [French] [ACD/IUPAC Name]
(R)-2-(cis-4-Isopropylcyclohexanecarboxamido)-3-phenylpropanoic acid
105816-06-6 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL2114389/

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

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

Click to predict properties on the Chemicalize site


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