ChemSpider 2D Image | (3aR,4S,6E,10E,11aR)-4-Hydroxy-10-(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carbaldehyde | C15H18O5

(3aR,4S,6E,10E,11aR)-4-Hydroxy-10-(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carbaldehyde

  • Molecular FormulaC15H18O5
  • Average mass278.300 Da
  • Monoisotopic mass278.115417 Da
  • ChemSpider ID57641921
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3aR,4S,6E,10E,11aR)-4-Hydroxy-10-(hydroxymethyl)-3-methylen-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carbaldehyd [German] [ACD/IUPAC Name]
(3aR,4S,6E,10E,11aR)-4-Hydroxy-10-(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carbaldehyde [ACD/IUPAC Name]
(3aR,4S,6E,10E,11aR)-4-Hydroxy-10-(hydroxyméthyl)-3-méthylène-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodéca[b]furane-6-carbaldéhyde [French] [ACD/IUPAC Name]
Cyclodeca[b]furan-6-carboxaldehyde, 2,3,3a,4,5,8,9,11a-octahydro-4-hydroxy-10-(hydroxymethyl)-3-methylene-2-oxo-, (3aR,4S,6E,10E,11aR)- [ACD/Index Name]
28400-14-8 [RN]
Urospermal A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 569.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.2±6.0 kJ/mol
Flash Point: 216.5±23.6 °C
Index of Refraction: 1.573
Molar Refractivity: 71.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 2.09
ACD/KOC (pH 5.5): 59.03
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 2.09
ACD/KOC (pH 7.4): 59.03
Polar Surface Area: 84 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 217.1±5.0 cm3

Click to predict properties on the Chemicalize site






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