ChemSpider 2D Image | Carapolide B | C28H32O9

Carapolide B

  • Molecular FormulaC28H32O9
  • Average mass512.548 Da
  • Monoisotopic mass512.204651 Da
  • ChemSpider ID10397053

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R)-2-[(3R)-3-Acetyl-2,2-dimethyl-6-oxo-3,6-dihydro-2H-pyran-3-yl]-1-[(1aS,4S,4aS,8S,8aR)-4-(3-furyl)-4a,8-dimethyl-2-oxo-1a,2,4,4a,5,8-hexahydrooxireno[d]isochromen-8-yl]ethyl acetate [ACD/IUPAC Name]
(1R)-2-[(3R)-3-Acetyl-2,2-dimethyl-6-oxo-3,6-dihydro-2H-pyran-3-yl]-1-[(1aS,4S,4aS,8S,8aR)-4-(3-furyl)-4a,8-dimethyl-2-oxo-1a,2,4,4a,5,8-hexahydrooxireno[d]isochromen-8-yl]ethyl-acetat [German] [ACD/IUPAC Name]
Acétate de (1R)-2-[(3R)-3-acétyl-2,2-diméthyl-6-oxo-3,6-dihydro-2H-pyran-3-yl]-1-[(1aS,4S,4aS,8S,8aR)-4-(3-furyl)-4a,8-diméthyl-2-oxo-1a,2,4,4a,5,8-hexahydrooxiréno[d]isochromén-8-yl]éthyle [French] [ACD/IUPAC Name]
Carapolide B
Oxireno[d][2]benzopyran-2(1aH)-one, 8-[(1R)-2-[(3R)-3-acetyl-3,6-dihydro-2,2-dimethyl-6-oxo-2H-pyran-3-yl]-1-(acetyloxy)ethyl]-4-(3-furanyl)-4,4a,5,8-tetrahydro-4a,8-dimethyl-, (1aS,4S,4aS,8S,8aR)- [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: 657.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.2±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 49.69
ACD/KOC (pH 5.5): 569.87
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.69
ACD/KOC (pH 7.4): 569.87
Polar Surface Area: 122 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 390.2±5.0 cm3

Click to predict properties on the Chemicalize site


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