ChemSpider 2D Image | (4S,7S,14E)-4,7-Diisopropyl-6-[(1R)-1-(4-methoxyphenyl)ethyl]-1,12-dioxa-3,6,9-triazacyclohexadec-14-ene-2,5,8,11-tetrone | C26H37N3O7

(4S,7S,14E)-4,7-Diisopropyl-6-[(1R)-1-(4-methoxyphenyl)ethyl]-1,12-dioxa-3,6,9-triazacyclohexadec-14-ene-2,5,8,11-tetrone

  • Molecular FormulaC26H37N3O7
  • Average mass503.588 Da
  • Monoisotopic mass503.263153 Da
  • ChemSpider ID9470047

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S,7S,14E)-4,7-Diisopropyl-6-[(1R)-1-(4-methoxyphenyl)ethyl]-1,12-dioxa-3,6,9-triazacyclohexadec-14-en-2,5,8,11-tetron [German] [ACD/IUPAC Name]
(4S,7S,14E)-4,7-Diisopropyl-6-[(1R)-1-(4-methoxyphenyl)ethyl]-1,12-dioxa-3,6,9-triazacyclohexadec-14-ene-2,5,8,11-tetrone [ACD/IUPAC Name]
(4S,7S,14E)-4,7-Diisopropyl-6-[(1R)-1-(4-méthoxyphényl)éthyl]-1,12-dioxa-3,6,9-triazacyclohexadéc-14-ène-2,5,8,11-tétrone [French] [ACD/IUPAC Name]
1,12-Dioxa-3,6,9-triazacyclohexadec-14-ene-2,5,8,11-tetrone, 6-[(1R)-1-(4-methoxyphenyl)ethyl]-4,7-bis(1-methylethyl)-, (4S,7S,14E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 813.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 445.5±34.3 °C
Index of Refraction: 1.498
Molar Refractivity: 132.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.36
ACD/KOC (pH 5.5): 159.18
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.36
ACD/KOC (pH 7.4): 159.12
Polar Surface Area: 123 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 452.1±3.0 cm3

Click to predict properties on the Chemicalize site


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