ChemSpider 2D Image | (1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12-tetramethyl-3-[(1S)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)cyclopropyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione | C27H41NO6S

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

  • Molecular FormulaC27H41NO6S
  • Average mass507.682 Da
  • Monoisotopic mass507.265472 Da
  • ChemSpider ID8476474

  • defined stereocentres - 7 of 9 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-8,8,10,12-tetramethyl-3-[(1S)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)cyclopropyl]-4,17-dioxabicyclo[14.1.0]heptadecan-5,9-dion [German] [ACD/IUPAC Name]
(1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12-tetramethyl-3-[(1S)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)cyclopropyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione [ACD/IUPAC Name]
(1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12-tétraméthyl-3-[(1S)-1-méthyl-2-(2-méthyl-1,3-thiazol-4-yl)cyclopropyl]-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-8,8,10,12-tetramethyl-3-[(1S)-1-methyl-2-(2-methyl-4-thiazolyl)cyclopropyl]-, (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: 1.2±0.1 g/cm3
Boiling Point: 679.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 364.8±31.5 °C
Index of Refraction: 1.527
Molar Refractivity: 134.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 122.36
ACD/KOC (pH 5.5): 1081.42
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 124.29
ACD/KOC (pH 7.4): 1098.43
Polar Surface Area: 137 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 438.5±3.0 cm3

Click to predict properties on the Chemicalize site


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