ChemSpider 2D Image | (7R,8S,9S,10E,13E,16S)-4,8-Dihydroxy-5,5,7,9-tetramethyl-16-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)-1-propen-2-yl]-13-(trifluoromethyl)oxacyclohexadeca-10,13-diene-2,6-dione | C27H36F3NO5S

(7R,8S,9S,10E,13E,16S)-4,8-Dihydroxy-5,5,7,9-tetramethyl-16-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)-1-propen-2-yl]-13-(trifluoromethyl)oxacyclohexadeca-10,13-diene-2,6-dione

  • Molecular FormulaC27H36F3NO5S
  • Average mass543.639 Da
  • Monoisotopic mass543.226624 Da
  • ChemSpider ID17225970

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(7R,8S,9S,10E,13E,16S)-4,8-Dihydroxy-5,5,7,9-tetramethyl-16-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)-1-propen-2-yl]-13-(trifluormethyl)oxacyclohexadeca-10,13-dien-2,6-dion [German] [ACD/IUPAC Name]
(7R,8S,9S,10E,13E,16S)-4,8-Dihydroxy-5,5,7,9-tetramethyl-16-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)-1-propen-2-yl]-13-(trifluoromethyl)oxacyclohexadeca-10,13-diene-2,6-dione [ACD/IUPAC Name]
(7R,8S,9S,10E,13E,16S)-4,8-Dihydroxy-5,5,7,9-tétraméthyl-16-[(1E)-1-(2-méthyl-1,3-thiazol-4-yl)-1-propén-2-yl]-13-(trifluorométhyl)oxacyclohexadéca-10,13-diène-2,6-dione [French] [ACD/IUPAC Name]
Oxacyclohexadeca-10,13-diene-2,6-dione, 4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-13-(trifluoromethyl)-, (7R,8S,9S,10E,13E,16S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 638.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 339.7±31.5 °C
Index of Refraction: 1.513
Molar Refractivity: 138.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1183.16
ACD/KOC (pH 5.5): 5509.89
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1184.49
ACD/KOC (pH 7.4): 5516.09
Polar Surface Area: 125 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 459.7±3.0 cm3

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