ChemSpider 2D Image | N-{[(2S,3S)-3-(Ethoxycarbonyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-isoleucine | C18H30N2O7

N-{[(2S,3S)-3-(Ethoxycarbonyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-isoleucine

  • Molecular FormulaC18H30N2O7
  • Average mass386.440 Da
  • Monoisotopic mass386.205292 Da
  • ChemSpider ID25060305

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

L-Isoleucine, N-[[(2S,3S)-3-(ethoxycarbonyl)oxiranyl]carbonyl]-L-isoleucyl- [ACD/Index Name]
N-{[(2S,3S)-3-(Ethoxycarbonyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-isoleucin [German] [ACD/IUPAC Name]
N-{[(2S,3S)-3-(Ethoxycarbonyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-isoleucine [ACD/IUPAC Name]
N-{[(2S,3S)-3-(Éthoxycarbonyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-isoleucine [French] [ACD/IUPAC Name]
N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE
(2S,3S)-2-[(2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]formamido}-3-methylpentanamido]-3-methylpentanoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 626.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 332.5±31.5 °C
Index of Refraction: 1.503
Molar Refractivity: 95.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 322.1±3.0 cm3

Click to predict properties on the Chemicalize site


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