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Search term: 24661411 (Found by CSID)
ChemSpider 2D Image | 3R,5S-sonnerlactone | C14H18O5

3R,5S-sonnerlactone

  • Molecular FormulaC14H18O5
  • Average mass266.290 Da
  • Monoisotopic mass266.115417 Da
  • ChemSpider ID24661411

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S)-5,10,12-Trihydroxy-3-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzoxecin-1-on [German] [ACD/IUPAC Name]
(3R,5S)-5,10,12-Trihydroxy-3-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzoxecin-1-one [ACD/IUPAC Name]
(3R,5S)-5,10,12-Trihydroxy-3-méthyl-3,4,5,6,7,8-hexahydro-1H-2-benzoxécin-1-one [French] [ACD/IUPAC Name]
1H-2-Benzoxecin-1-one, 3,4,5,6,7,8-hexahydro-5,10,12-trihydroxy-3-methyl-, (3R,5S)- [ACD/Index Name]
3R,5S-sonnerlactone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 547.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 210.2±23.6 °C
Index of Refraction: 1.572
Molar Refractivity: 68.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 88.96
ACD/KOC (pH 5.5): 863.13
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 59.50
ACD/KOC (pH 7.4): 577.33
Polar Surface Area: 87 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 208.6±3.0 cm3

Click to predict properties on the Chemicalize site


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