ChemSpider 2D Image | (2R,5R)-2-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-5-[(2R)-1-hydroxy-2-propanyl]tetrahydro-2-furancarboxylic acid | C16H20O7

(2R,5R)-2-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-5-[(2R)-1-hydroxy-2-propanyl]tetrahydro-2-furancarboxylic acid

  • Molecular FormulaC16H20O7
  • Average mass324.326 Da
  • Monoisotopic mass324.120911 Da
  • ChemSpider ID78441449

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2R,5R)-2-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-5-[(2R)-1-hydroxy-2-propanyl]tetrahydro-2-furancarbonsäure [German] [ACD/IUPAC Name]
(2R,5R)-2-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-5-[(2R)-1-hydroxy-2-propanyl]tetrahydro-2-furancarboxylic acid [ACD/IUPAC Name]
Acide (2R,5R)-2-[2-(2,5-dihydroxyphényl)-2-oxoéthyl]-5-[(2R)-1-hydroxy-2-propanyl]tétrahydro-2-furanecarboxylique [French] [ACD/IUPAC Name]
D-lyxo-Heptonic acid, 2,5-anhydro-3,4,6-trideoxy-2-C-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-methyl- [ACD/Index Name]
(+)-applanatumol R

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

Density: 1.4±0.1 g/cm3
Boiling Point: 595.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 220.3±23.6 °C
Index of Refraction: 1.595
Molar Refractivity: 79.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 233.9±3.0 cm3

Click to predict properties on the Chemicalize site


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