ChemSpider 2D Image | (11S)-7-[2-(Cyclopentylamino)ethyl]-6,9,13-trioxo-1,4-dioxa-7,10,14-triazacyclohexadecane-11-carboxamide | C19H33N5O6

(11S)-7-[2-(Cyclopentylamino)ethyl]-6,9,13-trioxo-1,4-dioxa-7,10,14-triazacyclohexadecane-11-carboxamide

  • Molecular FormulaC19H33N5O6
  • Average mass427.495 Da
  • Monoisotopic mass427.243073 Da
  • ChemSpider ID90614951

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(11S)-7-[2-(Cyclopentylamino)ethyl]-6,9,13-trioxo-1,4-dioxa-7,10,14-triazacyclohexadecan-11-carboxamid [German] [ACD/IUPAC Name]
(11S)-7-[2-(Cyclopentylamino)ethyl]-6,9,13-trioxo-1,4-dioxa-7,10,14-triazacyclohexadecane-11-carboxamide [ACD/IUPAC Name]
(11S)-7-[2-(Cyclopentylamino)éthyl]-6,9,13-trioxo-1,4-dioxa-7,10,14-triazacyclohexadécane-11-carboxamide [French] [ACD/IUPAC Name]
1,4-Dioxa-7,10,14-triazacyclohexadecane-11-carboxamide, 7-[2-(cyclopentylamino)ethyl]-6,9,13-trioxo-, (11S)- [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: 848.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.3±3.0 kJ/mol
Flash Point: 466.9±34.3 °C
Index of Refraction: 1.556
Molar Refractivity: 108.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -3.71
ACD/LogD (pH 5.5): -5.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 337.2±5.0 cm3

Click to predict properties on the Chemicalize site


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