ChemSpider 2D Image | (5S,9S,11Z,16R,17S,18R)-18-(2-Butyn-1-yl)-5,17-dihydroxy-12,16-dimethyl-9-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)-1-propen-2-yl]-8,15-dioxaspiro[3.15]nonadec-11-ene-7,19-dione | C30H41NO6S

(5S,9S,11Z,16R,17S,18R)-18-(2-Butyn-1-yl)-5,17-dihydroxy-12,16-dimethyl-9-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)-1-propen-2-yl]-8,15-dioxaspiro[3.15]nonadec-11-ene-7,19-dione

  • Molecular FormulaC30H41NO6S
  • Average mass543.715 Da
  • Monoisotopic mass543.265442 Da
  • ChemSpider ID8456077

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5S,9S,11Z,16R,17S,18R)-18-(2-Butin-1-yl)-5,17-dihydroxy-12,16-dimethyl-9-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)-1-propen-2-yl]-8,15-dioxaspiro[3.15]nonadec-11-en-7,19-dion [German] [ACD/IUPAC Name]
(5S,9S,11Z,16R,17S,18R)-18-(2-Butyn-1-yl)-5,17-dihydroxy-12,16-dimethyl-9-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)-1-propen-2-yl]-8,15-dioxaspiro[3.15]nonadec-11-ene-7,19-dione [ACD/IUPAC Name]
(5S,9S,11Z,16R,17S,18R)-18-(2-Butyn-1-yl)-5,17-dihydroxy-12,16-diméthyl-9-[(1E)-1-(2-méthyl-1,3-thiazol-4-yl)-1-propén-2-yl]-8,15-dioxaspiro[3.15]nonadéc-11-ène-7,19-dione [French] [ACD/IUPAC Name]
8,15-Dioxaspiro[3.15]nonadec-11-ene-7,19-dione, 18-(2-butyn-1-yl)-5,17-dihydroxy-12,16-dimethyl-9-[(E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-, (5S,9S,11Z,16R,17S,18R)- [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: 749.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 407.1±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 147.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 364.54
ACD/KOC (pH 5.5): 2372.25
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 364.95
ACD/KOC (pH 7.4): 2374.90
Polar Surface Area: 134 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 447.9±5.0 cm3

Click to predict properties on the Chemicalize site


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