ChemSpider 2D Image | Benzyl [3-benzyl-6-(2-{[1-(hydroxymethyl)cyclopentyl]amino}-2-oxoethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate | C33H41N3O7

Benzyl [3-benzyl-6-(2-{[1-(hydroxymethyl)cyclopentyl]amino}-2-oxoethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate

  • Molecular FormulaC33H41N3O7
  • Average mass591.695 Da
  • Monoisotopic mass591.294434 Da
  • ChemSpider ID3501654

More details:

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

[3-Benzyl-6-(2-{[1-(hydroxyméthyl)cyclopentyl]amino}-2-oxoéthyl)-5,12-dioxo-1-oxa-4-azacyclododéc-8-én-11-yl]carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [3-benzyl-6-(2-{[1-(hydroxymethyl)cyclopentyl]amino}-2-oxoethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate [ACD/IUPAC Name]
Benzyl-[3-benzyl-6-(2-{[1-(hydroxymethyl)cyclopentyl]amino}-2-oxoethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[6-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-5,12-dioxo-3-(phenylmethyl)-1-oxa-4-azacyclododec-8-en-11-yl]-, phenylmethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 894.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.3±3.0 kJ/mol
Flash Point: 495.0±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 160.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 85.81
ACD/KOC (pH 5.5): 842.62
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 85.77
ACD/KOC (pH 7.4): 842.23
Polar Surface Area: 143 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 467.8±5.0 cm3

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