ChemSpider 2D Image | (3aR,4S,6aS)-6a-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-1-oxotetrahydro-1H-cyclopenta[c]furan-3a(3H)-carboxylic acid | C16H16O8

(3aR,4S,6aS)-6a-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-1-oxotetrahydro-1H-cyclopenta[c]furan-3a(3H)-carboxylic acid

  • Molecular FormulaC16H16O8
  • Average mass336.293 Da
  • Monoisotopic mass336.084503 Da
  • ChemSpider ID78441103

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aR,4S,6aS)-6a-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-1-oxotetrahydro-1H-cyclopenta[c]furan-3a(3H)-carbonsäure [German] [ACD/IUPAC Name]
(3aR,4S,6aS)-6a-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-1-oxotetrahydro-1H-cyclopenta[c]furan-3a(3H)-carboxylic acid [ACD/IUPAC Name]
1H-Cyclopenta[c]furan-3a(3H)-carboxylic acid, 6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]tetrahydro-4-hydroxy-1-oxo-, (3aR,4S,6aS)- [ACD/Index Name]
Acide (3aR,4S,6aS)-6a-[2-(2,5-dihydroxyphényl)-2-oxoéthyl]-4-hydroxy-1-oxotétrahydro-1H-cyclopenta[c]furane-3a(3H)-carboxylique [French] [ACD/IUPAC Name]
(-)-applanatumol I

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

Density: 1.7±0.1 g/cm3
Boiling Point: 695.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 260.9±25.0 °C
Index of Refraction: 1.690
Molar Refractivity: 77.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 96.3±3.0 dyne/cm
Molar Volume: 203.1±3.0 cm3

Click to predict properties on the Chemicalize site


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