ChemSpider 2D Image | Methyl (2R)-[(1S,2R,5R,6R,10R,11S,13S,16S)-6-(3-furyl)-11-hydroxy-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.0~2,11~.0~5,10~]heptadec-16-yl](hydroxy)acetate | C27H34O9

Methyl (2R)-[(1S,2R,5R,6R,10R,11S,13S,16S)-6-(3-furyl)-11-hydroxy-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-16-yl](hydroxy)acetate

  • Molecular FormulaC27H34O9
  • Average mass502.553 Da
  • Monoisotopic mass502.220276 Da
  • ChemSpider ID29419907

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R)-[(1S,2R,5R,6R,10R,11S,13S,16S)-6-(3-Furyl)-11-hydroxy-1,5,15,15-tétraméthyl-8,14,17-trioxo-7-oxatétracyclo[11.3.1.02,11.05,10]heptadéc-16-yl](hydroxy)acétate de méthyle [French] [ACD/IUPAC Name]
7,11-Methano-2H-cycloocta[3,4]benzo[1,2-c]pyran-8-acetic acid, 4-(3-furanyl)tetradecahydro-α,12a-dihydroxy-4a,7,9,9-tetramethyl-2,10,13-trioxo-, methyl ester, (αR,4R,4aR,6aR,7S,8S,11S,12aS,12b R)- [ACD/Index Name]
Methyl (2R)-[(1S,2R,5R,6R,10R,11S,13S,16S)-6-(3-furyl)-11-hydroxy-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-16-yl](hydroxy)acetate [ACD/IUPAC Name]
Methyl-(2R)-[(1S,2R,5R,6R,10R,11S,13S,16S)-6-(3-furyl)-11-hydroxy-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-16-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: 679.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 364.7±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 123.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.49
ACD/KOC (pH 5.5): 258.76
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.76
ACD/KOC (pH 7.4): 247.27
Polar Surface Area: 140 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 384.9±3.0 cm3

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