ChemSpider 2D Image | (2S,3S)-1-Carboxy-3-methyl-2-heptanyl L-phenylalanyl-L-alanyl-D-leucinate | C27H43N3O6

(2S,3S)-1-Carboxy-3-methyl-2-heptanyl L-phenylalanyl-L-alanyl-D-leucinate

  • Molecular FormulaC27H43N3O6
  • Average mass505.647 Da
  • Monoisotopic mass505.315186 Da
  • ChemSpider ID9859558

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3S)-1-Carboxy-3-methyl-2-heptanyl L-phenylalanyl-L-alanyl-D-leucinate [ACD/IUPAC Name]
(2S,3S)-1-Carboxy-3-methyl-2-heptanyl-L-phenylalanyl-L-alanyl-D-leucinat [German] [ACD/IUPAC Name]
D-Leucine, L-phenylalanyl-L-alanyl-, (1S,2S)-1-(carboxymethyl)-2-methylhexyl ester [ACD/Index Name]
L-Phénylalanyl-L-alanyl-D-leucinate de (2S,3S)-1-carboxy-3-méthyl-2-heptanyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 723.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 391.4±32.9 °C
Index of Refraction: 1.522
Molar Refractivity: 137.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.43
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.45
Polar Surface Area: 148 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 451.8±3.0 cm3

Click to predict properties on the Chemicalize site


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