ChemSpider 2D Image | Xylocarpin | C29H36O9

Xylocarpin

  • Molecular FormulaC29H36O9
  • Average mass528.591 Da
  • Monoisotopic mass528.235962 Da
  • ChemSpider ID10222045

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

[(1R,2R,4S,5R,9R,10R,13R,14S,15S,17R)-17-Acétoxy-9-(3-furyl)-10,14,16,16-tétraméthyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadéc-15-yl]acétate de méthyle [French] [ACD/IUPAC Name]
7,11-Methano-2H,4H-oxireno[1,8]cycloocta[1,2-f][2]benzopyran-8-acetic acid, 10-(acetyloxy)-4-(3-furanyl)dodecahydro-4a,7,9,9-tetramethyl-2,13-dioxo-, methyl ester, (4R,4aR,6aR,7S,8S,10R,11R,11aR,12aS, 12bR)- [ACD/Index Name]
Methyl [(1R,2R,4S,5R,9R,10R,13R,14S,15S,17R)-17-acetoxy-9-(3-furyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadec-15-yl]acetate [ACD/IUPAC Name]
Methyl-[(1R,2R,4S,5R,9R,10R,13R,14S,15S,17R)-17-acetoxy-9-(3-furyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadec-15-yl]acetat [German] [ACD/IUPAC Name]
Xylocarpin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 636.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 338.8±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 132.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.79
ACD/KOC (pH 5.5): 985.41
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.79
ACD/KOC (pH 7.4): 985.41
Polar Surface Area: 122 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 402.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement