ChemSpider 2D Image | Ethyl N-{3-[8-({[(2-methoxyethyl)carbamoyl]oxy}methyl)-4-{[(1-naphthylmethyl)carbamoyl]oxy}-1,7-dioxaspiro[5.5]undec-2-yl]propanoyl}-L-leucinate | C37H53N3O10

Ethyl N-{3-[8-({[(2-methoxyethyl)carbamoyl]oxy}methyl)-4-{[(1-naphthylmethyl)carbamoyl]oxy}-1,7-dioxaspiro[5.5]undec-2-yl]propanoyl}-L-leucinate

  • Molecular FormulaC37H53N3O10
  • Average mass699.831 Da
  • Monoisotopic mass699.373108 Da
  • ChemSpider ID5068573

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

Ethyl N-{3-[8-({[(2-methoxyethyl)carbamoyl]oxy}methyl)-4-{[(1-naphthylmethyl)carbamoyl]oxy}-1,7-dioxaspiro[5.5]undec-2-yl]propanoyl}-L-leucinate [ACD/IUPAC Name]
Ethyl-N-{3-[8-({[(2-methoxyethyl)carbamoyl]oxy}methyl)-4-{[(1-naphthylmethyl)carbamoyl]oxy}-1,7-dioxaspiro[5.5]undec-2-yl]propanoyl}-L-leucinat [German] [ACD/IUPAC Name]
L-Leucine, N-[3-[8-[[[[(2-methoxyethyl)amino]carbonyl]oxy]methyl]-4-[[[(1-naphthalenylmethyl)amino]carbonyl]oxy]-1,7-dioxaspiro[5.5]undec-2-yl]-1-oxopropyl]-, ethyl ester [ACD/Index Name]
N-{3-[8-({[(2-Méthoxyéthyl)carbamoyl]oxy}méthyl)-4-{[(1-naphtylméthyl)carbamoyl]oxy}-1,7-dioxaspiro[5.5]undéc-2-yl]propanoyl}-L-leucinate d'éthyle [French] [ACD/IUPAC Name]

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

CMLD2_000271 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 848.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 466.7±34.3 °C
Index of Refraction: 1.567
Molar Refractivity: 187.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 3828.50
ACD/KOC (pH 5.5): 12773.96
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3828.23
ACD/KOC (pH 7.4): 12773.08
Polar Surface Area: 160 Å2
Polarizability: 74.1±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 572.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement