ChemSpider 2D Image | 9H-Fluoren-9-ylmethyl [(3S,6R,12S)-3-(cyclohexylmethyl)-6-(2-{[2-(2-hydroxyethoxy)ethyl]amino}-2-oxoethyl)-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-12-yl]carbamate | C39H51N3O8

9H-Fluoren-9-ylmethyl [(3S,6R,12S)-3-(cyclohexylmethyl)-6-(2-{[2-(2-hydroxyethoxy)ethyl]amino}-2-oxoethyl)-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-12-yl]carbamate

  • Molecular FormulaC39H51N3O8
  • Average mass689.838 Da
  • Monoisotopic mass689.367615 Da
  • ChemSpider ID5040934

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(3S,6R,12S)-3-(Cyclohexylméthyl)-6-(2-{[2-(2-hydroxyéthoxy)éthyl]amino}-2-oxoéthyl)-5,13-dioxo-1-oxa-4-azacyclotridéc-8-én-12-yl]carbamate de 9H-fluorén-9-ylméthyle [French] [ACD/IUPAC Name]
9H-Fluoren-9-ylmethyl [(3S,6R,12S)-3-(cyclohexylmethyl)-6-(2-{[2-(2-hydroxyethoxy)ethyl]amino}-2-oxoethyl)-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-12-yl]carbamate [ACD/IUPAC Name]
9H-Fluoren-9-ylmethyl-[(3S,6R,12S)-3-(cyclohexylmethyl)-6-(2-{[2-(2-hydroxyethoxy)ethyl]amino}-2-oxoethyl)-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-12-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(3S,6R,12S)-3-(cyclohexylmethyl)-6-[2-[[2-(2-hydroxyethoxy)ethyl]amino]-2-oxoethyl]-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-12-yl]-, 9H-fluoren-9-ylmethyl ester [ACD/Index Name]
AML1_003380

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

Density: 1.3±0.1 g/cm3
Boiling Point: 967.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.6±3.0 kJ/mol
Flash Point: 538.9±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 188.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2776.17
ACD/KOC (pH 5.5): 10148.76
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2774.84
ACD/KOC (pH 7.4): 10143.90
Polar Surface Area: 152 Å2
Polarizability: 74.7±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 550.9±5.0 cm3

Click to predict properties on the Chemicalize site


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