ChemSpider 2D Image | (2S)-1-[(2S,3S)-3-Octyl-4-oxo-2-oxetanyl]-2-undecanyl N-formyl-L-leucinate | C29H53NO5

(2S)-1-[(2S,3S)-3-Octyl-4-oxo-2-oxetanyl]-2-undecanyl N-formyl-L-leucinate

  • Molecular FormulaC29H53NO5
  • Average mass495.735 Da
  • Monoisotopic mass495.392365 Da
  • ChemSpider ID23343725

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-1-[(2S,3S)-3-Octyl-4-oxo-2-oxetanyl]-2-undecanyl N-formyl-L-leucinate [ACD/IUPAC Name]
(2S)-1-[(2S,3S)-3-Octyl-4-oxo-2-oxetanyl]-2-undecanyl-N-formyl-L-leucinat [German] [ACD/IUPAC Name]
L-Leucine, N-formyl-, (1S)-1-[[(2S,3S)-3-octyl-4-oxo-2-oxetanyl]methyl]decyl ester [ACD/Index Name]
N-Formyl-L-leucinate de (2S)-1-[(2S,3S)-3-octyl-4-oxo-2-oxétanyl]-2-undécanyle [French] [ACD/IUPAC Name]
(2S)-1-[(2S,3S)-3-octyl-4-oxooxetan-2-yl]undecan-2-yl N-formyl-L-leucinate
(S)-2-Formylamino-4-methyl-pentanoic Acid 1-((2S,3S,4S)-3-Octyl-4-oxo-oxetan-2-ylmethyl)-decyl Ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL492488/

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

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): 9.03
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1951611.38
ACD/LogD (pH 7.4): 9.03
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1951611.38
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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