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ChemSpider 2D Image | (3Z,5R,7S,8S,11Z,13R,15S,16S)-3,5,7,11,13,15-Hexamethyl-8,16-bis(1,3-oxazol-5-ylmethyl)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione | C28H38N2O6

(3Z,5R,7S,8S,11Z,13R,15S,16S)-3,5,7,11,13,15-Hexamethyl-8,16-bis(1,3-oxazol-5-ylmethyl)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione

  • Molecular FormulaC28H38N2O6
  • Average mass498.611 Da
  • Monoisotopic mass498.272980 Da
  • ChemSpider ID21248357
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(3Z,5R,7S,8S,11Z,13R,15S,16S)-3,5,7,11,13,15-Hexamethyl-8,16-bis(1,3-oxazol-5-ylmethyl)-1,9-dioxacyclohexadeca-3,11-dien-2,10-dion [German] [ACD/IUPAC Name]
(3Z,5R,7S,8S,11Z,13R,15S,16S)-3,5,7,11,13,15-Hexamethyl-8,16-bis(1,3-oxazol-5-ylmethyl)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione [ACD/IUPAC Name]
(3Z,5R,7S,8S,11Z,13R,15S,16S)-3,5,7,11,13,15-Hexaméthyl-8,16-bis(1,3-oxazol-5-ylméthyl)-1,9-dioxacyclohexadéca-3,11-diène-2,10-dione [French] [ACD/IUPAC Name]
1,9-Dioxacyclohexadeca-3,11-diene-2,10-dione, 3,5,7,11,13,15-hexamethyl-8,16-bis(5-oxazolylmethyl)-, (3Z,5R,7S,8S,11Z,13R,15S,16S)- [ACD/Index Name]
72263-05-9 [RN]
Conglobatin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 673.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 361.1±31.5 °C
Index of Refraction: 1.484
Molar Refractivity: 134.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2459.56
ACD/KOC (pH 5.5): 9305.93
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2459.79
ACD/KOC (pH 7.4): 9306.81
Polar Surface Area: 105 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 470.1±3.0 cm3

Click to predict properties on the Chemicalize site






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