ChemSpider 2D Image | (4S,7R,8S,9S,13Z,16S)-4,8-Dihydroxy-5,5,7,9,13-pentamethyl-16-{(1E)-1-[2-(~13~C)methyl(2-~13~C,~15~N)-1,3-thiazol-4-yl]-1-propen-2-yl}oxacyclohexadec-13-ene-2,6-dione | C2513C2H4115NO5S

(4S,7R,8S,9S,13Z,16S)-4,8-Dihydroxy-5,5,7,9,13-pentamethyl-16-{(1E)-1-[2-(13C)methyl(2-13C,15N)-1,3-thiazol-4-yl]-1-propen-2-yl}oxacyclohexadec-13-ene-2,6-dione

  • Molecular FormulaC2513C2H4115NO5S
  • Average mass494.662 Da
  • Monoisotopic mass494.274292 Da
  • ChemSpider ID107445738

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S,7R,8S,9S,13Z,16S)-4,8-Dihydroxy-5,5,7,9,13-pentamethyl-16-{(1E)-1-[2-(13C)methyl(2-13C,15N)-1,3-thiazol-4-yl]-1-propen-2-yl}oxacyclohexadec-13-en-2,6-dion [German] [ACD/IUPAC Name]
(4S,7R,8S,9S,13Z,16S)-4,8-Dihydroxy-5,5,7,9,13-pentamethyl-16-{(1E)-1-[2-(13C)methyl(2-13C,15N)-1,3-thiazol-4-yl]-1-propen-2-yl}oxacyclohexadec-13-ene-2,6-dione [ACD/IUPAC Name]
(4S,7R,8S,9S,13Z,16S)-4,8-Dihydroxy-5,5,7,9,13-pentaméthyl-16-{(1E)-1-[2-(13C)méthyl(2-13C,15N)-1,3-thiazol-4-yl]-1-propén-2-yl}oxacyclohexadéc-13-ène-2,6-dione [French] [ACD/IUPAC Name]
Oxacyclohexadec-13-ene-2,6-dione, 4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-[2-(methyl-13C)-4-thiazolyl-2-13C-3-15N]ethenyl]-, (4S,7R,8S,9S,13Z,16S)- [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: 1.523
Molar Refractivity: 138.4±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: 54.9±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 453.3±3.0 cm3

Click to predict properties on the Chemicalize site


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