ChemSpider 2D Image | (9R)-6,8-Dihydroxy-7-[(1S)-1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxo-1-cyclohexen-1-yl)-2-methylpropyl]-5-isobutyryl-9-isopropyl-2,2,4,4-tetramethyl-4,9-dihydro-1H-xanthene-1,3(2H)-dione | C38H50O9

(9R)-6,8-Dihydroxy-7-[(1S)-1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxo-1-cyclohexen-1-yl)-2-methylpropyl]-5-isobutyryl-9-isopropyl-2,2,4,4-tetramethyl-4,9-dihydro-1H-xanthene-1,3(2H)-dione

  • Molecular FormulaC38H50O9
  • Average mass650.798 Da
  • Monoisotopic mass650.345459 Da
  • ChemSpider ID9767443

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9R)-6,8-Dihydroxy-7-[(1S)-1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxo-1-cyclohexen-1-yl)-2-methylpropyl]-5-isobutyryl-9-isopropyl-2,2,4,4-tetramethyl-4,9-dihydro-1H-xanthen-1,3(2H)-dion [German] [ACD/IUPAC Name]
(9R)-6,8-Dihydroxy-7-[(1S)-1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxo-1-cyclohexen-1-yl)-2-methylpropyl]-5-isobutyryl-9-isopropyl-2,2,4,4-tetramethyl-4,9-dihydro-1H-xanthene-1,3(2H)-dione [ACD/IUPAC Name]
(9R)-6,8-Dihydroxy-7-[(1S)-1-(2-hydroxy-3,3,5,5-tétraméthyl-4,6-dioxo-1-cyclohexén-1-yl)-2-méthylpropyl]-5-isobutyryl-9-isopropyl-2,2,4,4-tétraméthyl-4,9-dihydro-1H-xanthène-1,3(2H)-dione [French] [ACD/IUPAC Name]
1H-Xanthene-1,3(2H)-dione, 4,9-dihydro-6,8-dihydroxy-7-[(1S)-1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxo-1-cyclohexen-1-yl)-2-methylpropyl]-2,2,4,4-tetramethyl-9-(1-methylethyl)-5-(2-methyl-1-oxopropyl )-, (9R)- [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: 756.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 227.5±26.4 °C
Index of Refraction: 1.581
Molar Refractivity: 174.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.56
ACD/LogD (pH 5.5): 6.46
ACD/BCF (pH 5.5): 24866.69
ACD/KOC (pH 5.5): 22606.87
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 92.51
ACD/KOC (pH 7.4): 84.10
Polar Surface Area: 155 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 523.3±5.0 cm3

Click to predict properties on the Chemicalize site


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