ChemSpider 2D Image | 11-Benzyl-6-(2-{[1-(hydroxymethyl)cyclopentyl]amino}-2-oxoethyl)-N-(2-naphthyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-ene-3-carboxamide | C36H41N3O6

11-Benzyl-6-(2-{[1-(hydroxymethyl)cyclopentyl]amino}-2-oxoethyl)-N-(2-naphthyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-ene-3-carboxamide

  • Molecular FormulaC36H41N3O6
  • Average mass611.727 Da
  • Monoisotopic mass611.299561 Da
  • ChemSpider ID3597921

More details:

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

11-Benzyl-6-(2-{[1-(hydroxymethyl)cyclopentyl]amino}-2-oxoethyl)-N-(2-naphthyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-3-carboxamid [German] [ACD/IUPAC Name]
11-Benzyl-6-(2-{[1-(hydroxymethyl)cyclopentyl]amino}-2-oxoethyl)-N-(2-naphthyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-ene-3-carboxamide [ACD/IUPAC Name]
11-Benzyl-6-(2-{[1-(hydroxyméthyl)cyclopentyl]amino}-2-oxoéthyl)-N-(2-naphtyl)-5,12-dioxo-1-oxa-4-azacyclododéc-8-ène-3-carboxamide [French] [ACD/IUPAC Name]
1-Oxa-4-azacyclododec-8-ene-6-acetamide, N-[1-(hydroxymethyl)cyclopentyl]-3-[(2-naphthalenylamino)carbonyl]-5,12-dioxo-11-(phenylmethyl)- [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: 966.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.4±3.0 kJ/mol
Flash Point: 538.1±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 172.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 349.31
ACD/KOC (pH 5.5): 2301.62
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 349.31
ACD/KOC (pH 7.4): 2301.62
Polar Surface Area: 134 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 478.3±5.0 cm3

Click to predict properties on the Chemicalize site


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