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Search term: AHLBNYSZXLDEJQ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1-[(2S,3S)-3-Hexyl-4-oxo-2-oxetanyl]-2-tridecanyl N-formylleucinate | C29H53NO5

1-[(2S,3S)-3-Hexyl-4-oxo-2-oxetanyl]-2-tridecanyl N-formylleucinate

  • Molecular FormulaC29H53NO5
  • Average mass495.735 Da
  • Monoisotopic mass495.392365 Da
  • ChemSpider ID71354342
  • defined stereocentres - 2 of 4 defined stereocentres


More details:






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

1-[(2S,3S)-3-Hexyl-4-oxo-2-oxetanyl]-2-tridecanyl N-formylleucinate [ACD/IUPAC Name]
1-[(2S,3S)-3-Hexyl-4-oxo-2-oxetanyl]-2-tridecanyl-N-formylleucinat [German] [ACD/IUPAC Name]
Leucine, N-formyl-, 1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester [ACD/Index Name]
N-Formylleucinate de 1-[(2S,3S)-3-hexyl-4-oxo-2-oxétanyl]-2-tridécanyle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 615.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.3±24.6 °C
Index of Refraction: 1.470
Molar Refractivity: 141.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 8.94
ACD/LogD (pH 5.5): 8.95
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1773130.38
ACD/LogD (pH 7.4): 8.95
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1773130.38
Polar Surface Area: 82 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 507.6±3.0 cm3

Click to predict properties on the Chemicalize site






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