ChemSpider 2D Image | (2S,4Z,7Z)-1-{(2S,3S)-3-[(2,3,4,5,6-~2~H_5_)Hexyl]-4-oxo-2-oxetanyl}(2,9,10,11-~2~H_4_)-4,7-tridecadien-2-yl N-formyl-L-(~15~N)leucinate | C29H40D915NO5

(2S,4Z,7Z)-1-{(2S,3S)-3-[(2,3,4,5,6-2H5)Hexyl]-4-oxo-2-oxetanyl}(2,9,10,11-2H4)-4,7-tridecadien-2-yl N-formyl-L-(15N)leucinate

  • Molecular FormulaC29H40D915NO5
  • Average mass501.752 Da
  • Monoisotopic mass501.414612 Da
  • ChemSpider ID9202695

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,4Z,7Z)-1-{(2S,3S)-3-[(2,3,4,5,6-2H5)Hexyl]-4-oxo-2-oxetanyl}(2,9,10,11-2H4)-4,7-tridecadien-2-yl N-formyl-L-(15N)leucinate [ACD/IUPAC Name]
(2S,4Z,7Z)-1-{(2S,3S)-3-[(2,3,4,5,6-2H5)Hexyl]-4-oxo-2-oxetanyl}(2,9,10,11-2H4)-4,7-tridecadien-2-yl-N-formyl-L-(15N)leucinat [German] [ACD/IUPAC Name]
L-Leucine-15N, N-formyl-, (1S,3Z,6Z)-1-[[(2S,3S)-3-(hexyl-2,3,4,5,6-d5)-4-oxo-2-oxetanyl]methyl]-3,6-dodecadien-1-yl-1,8,9,10-d4 ester [ACD/Index Name]
N-Formyl-L-(15N)leucinate de (2S,4Z,7Z)-1-{(2S,3S)-3-[(2,3,4,5,6-2H5)hexyl]-4-oxo-2-oxétanyl}(2,9,10,11-2H4)-4,7-tridécadién-2-yle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.485
Molar Refractivity: 141.7±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 494.8±3.0 cm3

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