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Search term: 78441249 (Found by CSID)
ChemSpider 2D Image | (3aS,4R,6aR)-6a-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-3a-(dimethoxymethyl)-4-hydroxyhexahydro-1H-cyclopenta[c]furan-1-one | C18H22O8

(3aS,4R,6aR)-6a-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-3a-(dimethoxymethyl)-4-hydroxyhexahydro-1H-cyclopenta[c]furan-1-one

  • Molecular FormulaC18H22O8
  • Average mass366.362 Da
  • Monoisotopic mass366.131470 Da
  • ChemSpider ID78441249

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aS,4R,6aR)-6a-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-3a-(dimethoxymethyl)-4-hydroxyhexahydro-1H-cyclopenta[c]furan-1-on [German] [ACD/IUPAC Name]
(3aS,4R,6aR)-6a-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-3a-(dimethoxymethyl)-4-hydroxyhexahydro-1H-cyclopenta[c]furan-1-one [ACD/IUPAC Name]
(3aS,4R,6aR)-6a-[2-(2,5-Dihydroxyphényl)-2-oxoéthyl]-3a-(diméthoxyméthyl)-4-hydroxyhexahydro-1H-cyclopenta[c]furan-1-one [French] [ACD/IUPAC Name]
1H-Cyclopenta[c]furan-1-one, 6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3a-(dimethoxymethyl)hexahydro-4-hydroxy-, (3aS,4R,6aR)- [ACD/Index Name]
(+)-applanatumol E

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

Density: 1.4±0.1 g/cm3
Boiling Point: 592.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 213.8±23.6 °C
Index of Refraction: 1.612
Molar Refractivity: 88.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.55
ACD/KOC (pH 5.5): 118.64
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.15
ACD/KOC (pH 7.4): 110.16
Polar Surface Area: 123 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 67.5±3.0 dyne/cm
Molar Volume: 255.7±3.0 cm3

Click to predict properties on the Chemicalize site


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