ChemSpider 2D Image | (2S,2'R,2''R,3''S,4''R,5'S,5''S)-4''-Hydroxy-5''-[(1R,2R,3S,4R)-1-hydroxy-3-methoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)pentyl]-2,3'',5'-trimethyldecahydro-2,2':5',2''-terfuran-5(2H)-one | C26H44O9

(2S,2'R,2''R,3''S,4''R,5'S,5''S)-4''-Hydroxy-5''-[(1R,2R,3S,4R)-1-hydroxy-3-methoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)pentyl]-2,3'',5'-trimethyldecahydro-2,2':5',2''-terfuran-5(2H)-one

  • Molecular FormulaC26H44O9
  • Average mass500.622 Da
  • Monoisotopic mass500.298523 Da
  • ChemSpider ID9299078

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2S,2'R,2''R,3''S,4''R,5'S,5''S)-4''-Hydroxy-5''-[(1R,2R,3S,4R)-1-hydroxy-3-methoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)pentyl]-2,3'',5'-trimethyldecahydro-2,2':5',2''-terfuran-5(2H)-on [German] [ACD/IUPAC Name]
(2S,2'R,2''R,3''S,4''R,5'S,5''S)-4''-Hydroxy-5''-[(1R,2R,3S,4R)-1-hydroxy-3-methoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)pentyl]-2,3'',5'-trimethyldecahydro-2,2':5',2''-terfuran-5(2H)-one [ACD/IUPAC Name]
(2S,2'R,2''R,3''S,4''R,5'S,5''S)-4''-Hydroxy-5''-[(1R,2R,3S,4R)-1-hydroxy-3-méthoxy-2-méthyl-4-(2-méthyl-1,3-dioxolan-2-yl)pentyl]-2,3'',5'-triméthyldécahydro-2,2':5',2''-terfuran-5(2H)-one [French] [ACD/IUPAC 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: 648.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±6.0 kJ/mol
Flash Point: 209.9±25.0 °C
Index of Refraction: 1.513
Molar Refractivity: 127.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.59
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.16
ACD/KOC (pH 5.5): 127.94
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.16
ACD/KOC (pH 7.4): 127.94
Polar Surface Area: 113 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 422.9±3.0 cm3

Click to predict properties on the Chemicalize site


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