ChemSpider 2D Image | (8R)-8-[(1R,2R,5R)-2-(2-Carboxyethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxo(2,2,3,3,4,4,8-~2~H_7_)octanoic acid | C16H17D7O7

(8R)-8-[(1R,2R,5R)-2-(2-Carboxyethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxo(2,2,3,3,4,4,8-2H7)octanoic acid

  • Molecular FormulaC16H17D7O7
  • Average mass335.401 Da
  • Monoisotopic mass335.196136 Da
  • ChemSpider ID9144927

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(8R)-8-[(1R,2R,5R)-2-(2-Carboxyethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxo(2,2,3,3,4,4,8-2H7)octanoic acid [ACD/IUPAC Name]
(8R)-8-[(1R,2R,5R)-2-(2-Carboxyethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxo(2,2,3,3,4,4,8-2H7)octansäure [German] [ACD/IUPAC Name]
Acide (8R)-8-[(1R,2R,5R)-2-(2-carboxyéthyl)-5-hydroxy-3-oxocyclopentyl]-6-oxo(2,2,3,3,4,4,8-2H7)octanoïque [French] [ACD/IUPAC Name]
Cyclopentaneoctanoic-α,α,β,β,γ,γ,η-d7 acid, 2-(2-carboxyethyl)-5-hydroxy-ε,3-dioxo-, (etaR,1R,2R,5R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 622.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.7±6.0 kJ/mol
Flash Point: 344.1±26.6 °C
Index of Refraction: 1.522
Molar Refractivity: 79.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: -1.38
ACD/LogD (pH 5.5): -2.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 259.3±3.0 cm3

Click to predict properties on the Chemicalize site


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