ChemSpider 2D Image | Methyl (2R)-[(1S,3S,8S,9R,10R,13S,14S)-14-(3-furyl)-7,7,9,13-tetramethyl-18-methylene-5,16-dioxo-2,6,15-trioxatetracyclo[8.7.1.0~1,13~.0~3,9~]octadec-8-yl](hydroxy)acetate | C27H34O9

Methyl (2R)-[(1S,3S,8S,9R,10R,13S,14S)-14-(3-furyl)-7,7,9,13-tetramethyl-18-methylene-5,16-dioxo-2,6,15-trioxatetracyclo[8.7.1.01,13.03,9]octadec-8-yl](hydroxy)acetate

  • Molecular FormulaC27H34O9
  • Average mass502.553 Da
  • Monoisotopic mass502.220276 Da
  • ChemSpider ID29419147

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R)-[(1S,3S,8S,9R,10R,13S,14S)-14-(3-Furyl)-7,7,9,13-tétraméthyl-18-méthylène-5,16-dioxo-2,6,15-trioxatétracyclo[8.7.1.01,13.03,9]octadéc-8-yl](hydroxy)acétate de méthyle [French] [ACD/IUPAC Name]
7,13a-Methano-2H,4H-oxepino[4,5-b]pyrano[3,4-g]oxocin-8-acetic acid, 4-(3-furanyl)undecahydro-α-hydroxy-4a,7a,9,9-tetramethyl-14-methylene-2,11-dioxo-, methyl ester, (αR,4S,4aS,7R,7aR,8S,12aS, 13aS)- [ACD/Index Name]
Methyl (2R)-[(1S,3S,8S,9R,10R,13S,14S)-14-(3-furyl)-7,7,9,13-tetramethyl-18-methylene-5,16-dioxo-2,6,15-trioxatetracyclo[8.7.1.01,13.03,9]octadec-8-yl](hydroxy)acetate [ACD/IUPAC Name]
Methyl-(2R)-[(1S,3S,8S,9R,10R,13S,14S)-14-(3-furyl)-7,7,9,13-tetramethyl-18-methylen-5,16-dioxo-2,6,15-trioxatetracyclo[8.7.1.01,13.03,9]octadec-8-yl](hydroxy)acetat [German] [ACD/IUPAC 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: 670.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 359.4±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 125.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.76
ACD/KOC (pH 5.5): 711.55
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.75
ACD/KOC (pH 7.4): 711.54
Polar Surface Area: 122 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 383.9±5.0 cm3

Click to predict properties on the Chemicalize site


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