ChemSpider 2D Image | (1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-3-{(1E)-1-[2-(1H-imidazol-1-ylmethyl)-1,3-thiazol-4-yl]-1-propen-2-yl}-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione | C30H43N3O6S

(1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-3-{(1E)-1-[2-(1H-imidazol-1-ylmethyl)-1,3-thiazol-4-yl]-1-propen-2-yl}-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

  • Molecular FormulaC30H43N3O6S
  • Average mass573.744 Da
  • Monoisotopic mass573.287231 Da
  • ChemSpider ID8363755

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-3-{(1E)-1-[2-(1H-imidazol-1-ylmethyl)-1,3-thiazol-4-yl]-1-propen-2-yl}-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecan-5,9-dion [German] [ACD/IUPAC Name]
(1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-3-{(1E)-1-[2-(1H-imidazol-1-ylmethyl)-1,3-thiazol-4-yl]-1-propen-2-yl}-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione [ACD/IUPAC Name]
(1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-3-{(1E)-1-[2-(1H-imidazol-1-ylméthyl)-1,3-thiazol-4-yl]-1-propén-2-yl}-8,8,10,12,16-pentaméthyl-4,17-dioxabicyclo[14.1.0]heptadécane-5,9-dione [French] [ACD/IUPAC Name]
4,17-Dioxabicyclo[14.1.0]heptadecane-5,9-dione, 7,11-dihydroxy-3-[(E)-2-[2-(1H-imidazol-1-ylmethyl)-4-thiazolyl]-1-methylethenyl]-8,8,10,12,16-pentamethyl-, (1S,3S,7S,10R,11S,12S,16R)- [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: 785.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 429.0±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 154.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 24.32
ACD/KOC (pH 5.5): 246.07
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 75.14
ACD/KOC (pH 7.4): 760.35
Polar Surface Area: 155 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 443.0±7.0 cm3

Click to predict properties on the Chemicalize site


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