ChemSpider 2D Image | (1S,3S,7S,10R,11S,12S,16S)-7,11-Dihydroxy-16-(hydroxymethyl)-8,8,10,12-tetramethyl-3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione | C26H39NO7S

(1S,3S,7S,10R,11S,12S,16S)-7,11-Dihydroxy-16-(hydroxymethyl)-8,8,10,12-tetramethyl-3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

  • Molecular FormulaC26H39NO7S
  • Average mass509.655 Da
  • Monoisotopic mass509.244720 Da
  • ChemSpider ID9267568

  • 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,16S)-7,11-Dihydroxy-16-(hydroxymethyl)-8,8,10,12-tetramethyl-3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecan-5,9-dion [German] [ACD/IUPAC Name]
(1S,3S,7S,10R,11S,12S,16S)-7,11-Dihydroxy-16-(hydroxymethyl)-8,8,10,12-tetramethyl-3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione [ACD/IUPAC Name]
(1S,3S,7S,10R,11S,12S,16S)-7,11-Dihydroxy-16-(hydroxyméthyl)-8,8,10,12-tétraméthyl-3-[(E)-2-(2-méthyl-1,3-thiazol-4-yl)vinyl]-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-16-(hydroxymethyl)-8,8,10,12-tetramethyl-3-[(E)-2-(2-methyl-4-thiazolyl)ethenyl]-, (1S,3S,7S,10R,11S,12S,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: 717.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 387.4±32.9 °C
Index of Refraction: 1.567
Molar Refractivity: 137.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.08
ACD/KOC (pH 5.5): 219.13
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.09
ACD/KOC (pH 7.4): 219.36
Polar Surface Area: 158 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 420.5±3.0 cm3

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