ChemSpider 2D Image | [(3S,4R,5S)-5-{[9-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl]oxy}-3,4-dihydroxytetrahydro-3-furanyl]methyl acetate | C28H26O12

[(3S,4R,5S)-5-{[9-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl]oxy}-3,4-dihydroxytetrahydro-3-furanyl]methyl acetate

  • Molecular FormulaC28H26O12
  • Average mass554.499 Da
  • Monoisotopic mass554.142456 Da
  • ChemSpider ID8523080

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(3S,4R,5S)-5-{[9-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl]oxy}-3,4-dihydroxytetrahydro-3-furanyl]methyl acetate [ACD/IUPAC Name]
[(3S,4R,5S)-5-{[9-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl]oxy}-3,4-dihydroxytetrahydro-3-furanyl]methyl-acetat [German] [ACD/IUPAC Name]
Acétate de [(3S,4R,5S)-5-{[9-(1,3-benzodioxol-5-yl)-6,7-diméthoxy-1-oxo-1,3-dihydronaphto[2,3-c]furan-4-yl]oxy}-3,4-dihydroxytétrahydro-3-furanyl]méthyle [French] [ACD/IUPAC Name]
Naphtho[2,3-c]furan-1(3H)-one, 4-[[(2S,3R,4S)-4-[(acetyloxy)methyl]tetrahydro-3,4-dihydroxy-2-furanyl]oxy]-9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 810.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 272.0±27.8 °C
Index of Refraction: 1.649
Molar Refractivity: 136.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 25.10
ACD/KOC (pH 5.5): 349.56
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 25.10
ACD/KOC (pH 7.4): 349.55
Polar Surface Area: 148 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 374.4±3.0 cm3

Click to predict properties on the Chemicalize site


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