ChemSpider 2D Image | (2S,4Z,7Z)-1-[(3R)-3-Hexyl-4-oxo-2-oxetanyl]-4,7-tridecadien-2-yl N-formyl-L-leucinate | C29H49NO5

(2S,4Z,7Z)-1-[(3R)-3-Hexyl-4-oxo-2-oxetanyl]-4,7-tridecadien-2-yl N-formyl-L-leucinate

  • Molecular FormulaC29H49NO5
  • Average mass491.703 Da
  • Monoisotopic mass491.361084 Da
  • ChemSpider ID88297886

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2S,4Z,7Z)-1-[(3R)-3-Hexyl-4-oxo-2-oxetanyl]-4,7-tridecadien-2-yl N-formyl-L-leucinate [ACD/IUPAC Name]
(2S,4Z,7Z)-1-[(3R)-3-Hexyl-4-oxo-2-oxetanyl]-4,7-tridecadien-2-yl-N-formyl-L-leucinat [German] [ACD/IUPAC Name]
L-Leucine, N-formyl-, (1S,3Z,6Z)-1-[[(3R)-3-hexyl-4-oxo-2-oxetanyl]methyl]-3,6-dodecadien-1-yl ester [ACD/Index Name]
N-Formyl-L-leucinate de (2S,4Z,7Z)-1-[(3R)-3-hexyl-4-oxo-2-oxétanyl]-4,7-tridécadién-2-yle [French] [ACD/IUPAC Name]
96829-59-3 [RN]
lipstatin [Wiki]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 627.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.2±31.5 °C
Index of Refraction: 1.485
Molar Refractivity: 141.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 8.05
ACD/LogD (pH 5.5): 7.51
ACD/BCF (pH 5.5): 299354.84
ACD/KOC (pH 5.5): 289353.13
ACD/LogD (pH 7.4): 7.51
ACD/BCF (pH 7.4): 299354.84
ACD/KOC (pH 7.4): 289353.13
Polar Surface Area: 82 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 494.8±3.0 cm3

Click to predict properties on the Chemicalize site


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