ChemSpider 2D Image | Benzyl 1-{[(1-{[(1-{[(benzyloxy)carbonyl]amino}cyclopentyl)carbonyl]amino}cyclopentyl)carbonyl]amino}cyclopentanecarboxylate | C33H41N3O6

Benzyl 1-{[(1-{[(1-{[(benzyloxy)carbonyl]amino}cyclopentyl)carbonyl]amino}cyclopentyl)carbonyl]amino}cyclopentanecarboxylate

  • Molecular FormulaC33H41N3O6
  • Average mass575.695 Da
  • Monoisotopic mass575.299561 Da
  • ChemSpider ID223533

More details:

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

1-{[(1-{[(1-{[(Benzyloxy)carbonyl]amino}cyclopentyl)carbonyl]amino}cyclopentyl)carbonyl]amino}cyclopentanecarboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 1-{[(1-{[(1-{[(benzyloxy)carbonyl]amino}cyclopentyl)carbonyl]amino}cyclopentyl)carbonyl]amino}cyclopentanecarboxylate [ACD/IUPAC Name]
Benzyl-1-{[(1-{[(1-{[(benzyloxy)carbonyl]amino}cyclopentyl)carbonyl]amino}cyclopentyl)carbonyl]amino}cyclopentancarboxylat [German] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 1-[[[1-[[[1-[[(phenylmethoxy)carbonyl]amino]cyclopentyl]carbonyl]amino]cyclopentyl]carbonyl]amino]-, phenylmethyl ester [ACD/Index Name]

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

NSC80131 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 810.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 444.0±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 157.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 612.53
ACD/KOC (pH 5.5): 3440.52
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 610.71
ACD/KOC (pH 7.4): 3430.29
Polar Surface Area: 123 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 457.5±5.0 cm3

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