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Search term: FZQBVILAADTZJV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | talarodilactone A | C31H32O12

talarodilactone A

  • Molecular FormulaC31H32O12
  • Average mass596.579 Da
  • Monoisotopic mass596.189392 Da
  • ChemSpider ID62816321

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-4-Hydroxy-2-(3-méthoxy-3-oxopropyl)-5-oxo-3-phényl-2,5-dihydro-2-furanecarboxylate de (3S,7S)-12,14-dihydroxy-3-méthyl-1,9-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclododécin-7-yle [French] [ACD/IUPAC Name]
(3S,7S)-12,14-Dihydroxy-3-methyl-1,9-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclododecin-7-yl (2R)-4-hydroxy-2-(3-methoxy-3-oxopropyl)-5-oxo-3-phenyl-2,5-dihydro-2-furancarboxylate [ACD/IUPAC Name]
(3S,7S)-12,14-Dihydroxy-3-methyl-1,9-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclododecin-7-yl-(2R)-4-hydroxy-2-(3-methoxy-3-oxopropyl)-5-oxo-3-phenyl-2,5-dihydro-2-furancarboxylat [German] [ACD/IUPAC Name]
2-Furanpropanoic acid, 2,5-dihydro-4-hydroxy-2-[[[(3S,7S)-3,4,5,6,7,8,9,10-octahydro-12,14-dihydroxy-3-methyl-1,9-dioxo-1H-2-benzoxacyclododecin-7-yl]oxy]carbonyl]-5-oxo-3-phenyl-, methyl ester, (2R)- [ACD/Index Name]
talarodilactone A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 860.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.3±3.0 kJ/mol
Flash Point: 279.3±27.8 °C
Index of Refraction: 1.627
Molar Refractivity: 146.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 370.16
ACD/KOC (pH 5.5): 2387.48
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 147.34
ACD/KOC (pH 7.4): 950.30
Polar Surface Area: 183 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 414.3±5.0 cm3

Click to predict properties on the Chemicalize site


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