ChemSpider 2D Image | (3S,4S,6E,10E)-4-Hydroxy-10-(hydroxymethyl)-3-methyl-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carbaldehyde | C15H20O5

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

  • Molecular FormulaC15H20O5
  • Average mass280.316 Da
  • Monoisotopic mass280.131073 Da
  • ChemSpider ID57641922
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres


More details:






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

(3S,4S,6E,10E)-4-Hydroxy-10-(hydroxymethyl)-3-methyl-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carbaldehyd [German] [ACD/IUPAC Name]
(3S,4S,6E,10E)-4-Hydroxy-10-(hydroxymethyl)-3-methyl-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carbaldehyde [ACD/IUPAC Name]
(3S,4S,6E,10E)-4-Hydroxy-10-(hydroxyméthyl)-3-méthyl-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-methyl-2-oxo-, (3S,4S,6E,10E)- [ACD/Index Name]
84807-49-8 [RN]
Cyclodeca[b]furan-6-carboxaldehyde, 2,3,3a,4,5,8,9,11a-octahydro-4-hydroxy-10-(hydroxymethyl)-3-methyl-2-oxo-, (3S,3aR,4S,6E,10Z,11aR)-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 537.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.7±6.0 kJ/mol
Flash Point: 202.4±23.6 °C
Index of Refraction: 1.570
Molar Refractivity: 73.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.02
ACD/KOC (pH 5.5): 35.31
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.02
ACD/KOC (pH 7.4): 35.31
Polar Surface Area: 84 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 223.9±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement