ChemSpider 2D Image | (2R,3aR,7S,10R,11S,12S,15aR)-7,11-Dihydroxy-8,8,10,12-tetramethyl-2-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)-1-propen-2-yl]decahydro-2H-furo[3,2-b]oxacyclotetradecine-5,9(3H,6H)-dione | C26H39NO6S

(2R,3aR,7S,10R,11S,12S,15aR)-7,11-Dihydroxy-8,8,10,12-tetramethyl-2-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)-1-propen-2-yl]decahydro-2H-furo[3,2-b]oxacyclotetradecine-5,9(3H,6H)-dione

  • Molecular FormulaC26H39NO6S
  • Average mass493.656 Da
  • Monoisotopic mass493.249817 Da
  • ChemSpider ID23189070

  • 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

(2R,3aR,7S,10R,11S,12S,15aR)-7,11-Dihydroxy-8,8,10,12-tetramethyl-2-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)-1-propen-2-yl]decahydro-2H-furo[3,2-b]oxacyclotetradecin-5,9(3H,6H)-dion [German] [ACD/IUPAC Name]
(2R,3aR,7S,10R,11S,12S,15aR)-7,11-Dihydroxy-8,8,10,12-tetramethyl-2-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)-1-propen-2-yl]decahydro-2H-furo[3,2-b]oxacyclotetradecine-5,9(3H,6H)-dione [ACD/IUPAC Name]
(2R,3aR,7S,10R,11S,12S,15aR)-7,11-Dihydroxy-8,8,10,12-tétraméthyl-2-[(1E)-1-(2-méthyl-1,3-thiazol-4-yl)-1-propén-2-yl]décahydro-2H-furo[3,2-b]oxacyclotétradécine-5,9(3H,6H)-dione [French] [ACD/IUPAC Name]
(2R,3aR,7S,10R,11S,12S,15aR)-7,11-dihydroxy-8,8,10,12-tetramethyl-2-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]decahydro-2H-furo[3,2-b]oxacyclotetradecine-5,9(3H,6H)-dione
2H-Furo[3,2-b]oxacyclotetradecin-5,9(3H,6H)-dione, decahydro-7,11-dihydroxy-8,8,10,12-tetramethyl-2-[(E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-, (2R,3aR,7S,10R,11S,12S,15aR)- [ACD/Index Name]
(1R,6S,9R,10S,11S,15aR)-7,11-Dihydroxy-8,8,10,12-tetramethyl-2-[(E)-1-(R)-methyl-2-(2-methyl-thiazol-4-yl)-vinyl]-dodecahydro-1,4-dioxa-cyclopentacyclotetradecene-5,9-dione

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 674.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 362.0±31.5 °C
Index of Refraction: 1.532
Molar Refractivity: 133.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 133.07
ACD/KOC (pH 5.5): 1152.96
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 133.28
ACD/KOC (pH 7.4): 1154.82
Polar Surface Area: 134 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 431.8±3.0 cm3

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