ChemSpider 2D Image | 1,6-Hexanediyl (2S,2'S)bis(2-amino-4-methylpentanoate) | C18H36N2O4

1,6-Hexanediyl (2S,2'S)bis(2-amino-4-methylpentanoate)

  • Molecular FormulaC18H36N2O4
  • Average mass344.489 Da
  • Monoisotopic mass344.267517 Da
  • ChemSpider ID24957979

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,2'S)Bis(2-amino-4-méthylpentanoate) de 1,6-hexanediyle [French] [ACD/IUPAC Name]
1,6-Hexandiyl-(2S,2'S)bis(2-amino-4-methylpentanoat) [German] [ACD/IUPAC Name]
1,6-Hexanediyl (2S,2'S)bis(2-amino-4-methylpentanoate) [ACD/IUPAC Name]
(2S,2'S)-2-Amino-4-methyl-pentanoic acid 6-(2-amino-4-methyl-pentanoyloxy)-hexyl ester
1,6-Bis-L-leucyl hexanediol ester
221394-20-3 [RN]
6-{[(2S)-2-AMINO-4-METHYLPENTANOYL]OXY}HEXYL (2S)-2-AMINO-4-METHYLPENTANOATE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 433.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 107.3±20.9 °C
Index of Refraction: 1.474
Molar Refractivity: 95.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 29.48
Polar Surface Area: 105 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 341.5±3.0 cm3

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