ChemSpider 2D Image | (2S,6R)-5-Hydroxy-6-isobutyl-8,8,10,10,12-pentamethyl-2-phenyl-2H,6H-pyrano[3,2-b]xanthene-4,7,9(3H,8H,10H)-trione | C31H34O6

(2S,6R)-5-Hydroxy-6-isobutyl-8,8,10,10,12-pentamethyl-2-phenyl-2H,6H-pyrano[3,2-b]xanthene-4,7,9(3H,8H,10H)-trione

  • Molecular FormulaC31H34O6
  • Average mass502.598 Da
  • Monoisotopic mass502.235535 Da
  • ChemSpider ID9652426

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,6R)-5-Hydroxy-6-isobutyl-8,8,10,10,12-pentamethyl-2-phenyl-2H,6H-pyrano[3,2-b]xanthen-4,7,9(3H,8H,10H)-trion [German] [ACD/IUPAC Name]
(2S,6R)-5-Hydroxy-6-isobutyl-8,8,10,10,12-pentamethyl-2-phenyl-2H,6H-pyrano[3,2-b]xanthene-4,7,9(3H,8H,10H)-trione [ACD/IUPAC Name]
(2S,6R)-5-Hydroxy-6-isobutyl-8,8,10,10,12-pentaméthyl-2-phényl-2H,6H-pyrano[3,2-b]xanthène-4,7,9(3H,8H,10H)-trione [French] [ACD/IUPAC Name]
2H,6H-Pyrano[3,2-b]xanthene-4,7,9(3H,8H,10H)-trione, 5-hydroxy-8,8,10,10,12-pentamethyl-6-(2-methylpropyl)-2-phenyl-, (2S,6R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 626.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 201.0±25.0 °C
Index of Refraction: 1.615
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 8.07
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 138484.23
ACD/KOC (pH 5.5): 165320.63
ACD/LogD (pH 7.4): 6.57
ACD/BCF (pH 7.4): 43717.09
ACD/KOC (pH 7.4): 52188.88
Polar Surface Area: 90 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 395.8±5.0 cm3

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