ChemSpider 2D Image | xylocarpin L | C35H44O16

xylocarpin L

  • Molecular FormulaC35H44O16
  • Average mass720.714 Da
  • Monoisotopic mass720.262939 Da
  • ChemSpider ID27023604

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(2R)-Acétoxy[(1R,2S,4S,5S,6S,10R,11R,12R,13R,14R,15R,17S,18S)-4,12,14-triacétoxy-6-(3-furyl)-2,11,17-trihydroxy-1,5,15-triméthyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadéc-18-yl]acé
 tate de méthyle [French] [ACD/IUPAC Name]
6,8-Methanocyclopenta[5,6]naphtho[2,1-c]pyran-9-acetic acid, α,5,11,12-tetrakis(acetyloxy)-1-(3-furanyl)hexadecahydro-4b,6a,9b-trihydroxy-8,9a,11a-trimethyl-3-oxo-, methyl ester, (αR,1S,4aR,4b R,5R,6R,6aS,8R,9S,9aR,9bS,11S,11aS,12R)- [ACD/Index Name]
Methyl (2R)-acetoxy[(1R,2S,4S,5S,6S,10R,11R,12R,13R,14R,15R,17S,18S)-4,12,14-triacetoxy-6-(3-furyl)-2,11,17-trihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadec-18 
-yl]acetate [ACD/IUPAC Name]
Methyl-(2R)-acetoxy[(1R,2S,4S,5S,6S,10R,11R,12R,13R,14R,15R,17S,18S)-4,12,14-triacetoxy-6-(3-furyl)-2,11,17-trihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadec-18 
-yl]acetat [German] [ACD/IUPAC Name]
xylocarpin L

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

Density: 1.4±0.1 g/cm3
Boiling Point: 748.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 406.5±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 168.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.41
ACD/KOC (pH 5.5): 173.13
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.40
ACD/KOC (pH 7.4): 173.12
Polar Surface Area: 232 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 497.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement