ChemSpider 2D Image | (1S,16R)-7,11-Dihydroxy-8-methyl-8,10,12-tris[(~13~C)methyl]-3-[(1E)-1-[2-(~13~C)methyl(2-~13~C)-1,3-thiazol-4-yl](2,3-~13~C_2_)-1-propen-2-yl](~13~C_15_)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dion e | C413C22H39NO6S

(1S,16R)-7,11-Dihydroxy-8-methyl-8,10,12-tris[(13C)methyl]-3-[(1E)-1-[2-(13C)methyl(2-13C)-1,3-thiazol-4-yl](2,3-13C2)-1-propen-2-yl](13C15)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dion e

  • Molecular FormulaC413C22H39NO6S
  • Average mass515.494 Da
  • Monoisotopic mass515.323608 Da
  • ChemSpider ID8753139

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1S,16R)-7,11-Dihydroxy-8-methyl-8,10,12-tris[(13C)methyl]-3-[(1E)-1-[2-(13C)methyl(2-13C)-1,3-thiazol-4-yl](2,3-13C2)-1-propen-2-yl](13C15)-4,17-dioxabicyclo[14.1.0]heptadecan-5,9-dion [German] [ACD/IUPAC Name]
(1S,16R)-7,11-Dihydroxy-8-methyl-8,10,12-tris[(13C)methyl]-3-[(1E)-1-[2-(13C)methyl(2-13C)-1,3-thiazol-4-yl](2,3-13C2)-1-propen-2-yl](13C15)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dion e [ACD/IUPAC Name]
(1S,16R)-7,11-Dihydroxy-8-méthyl-8,10,12-tris[(13C)méthyl]-3-[(1E)-1-[2-(13C)méthyl(2-13C)-1,3-thiazol-4-yl](2,3-13C2)-1-propén-2-yl](13C15)-4,17-dioxabicyclo[14.1.0]heptadécane-5,9-dion e [French] [ACD/IUPAC Name]
4,17-Dioxabicyclo[14.1.0]heptadecane-5,9-dione-1,2,3,5,6,7,8,9,10,11,12,13,14,15,16-13C15, 7,11-dihydroxy-8-methyl-8,10,12-tri(methyl-13C)-3-[(E)-1-(methyl-13C)-2-[2-(methyl-13C)-4-thiazolyl -2-13C]ethenyl-1-13C]-, (1S,16R)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.532
Molar Refractivity: 133.8±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 431.8±3.0 cm3

Click to predict properties on the Chemicalize site


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