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Search term: HGJDSVWXLPYQIQ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Diethyl ({(1S,2R)-2-[(1R)-1,2-diacetoxyethyl]-5-oxocyclopentyl}methyl)malonate | C19H28O9

Diethyl ({(1S,2R)-2-[(1R)-1,2-diacetoxyethyl]-5-oxocyclopentyl}methyl)malonate

  • Molecular FormulaC19H28O9
  • Average mass400.420 Da
  • Monoisotopic mass400.173340 Da
  • ChemSpider ID74043228
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

({(1S,2R)-2-[(1R)-1,2-Diacétoxyéthyl]-5-oxocyclopentyl}méthyl)malonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl ({(1S,2R)-2-[(1R)-1,2-diacetoxyethyl]-5-oxocyclopentyl}methyl)malonate [ACD/IUPAC Name]
Diethyl-({(1S,2R)-2-[(1R)-1,2-diacetoxyethyl]-5-oxocyclopentyl}methyl)malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[[(1S,2R)-2-[(1R)-1,2-bis(acetyloxy)ethyl]-5-oxocyclopentyl]methyl]-, diethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 478.8±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 206.1±21.8 °C
Index of Refraction: 1.475
Molar Refractivity: 95.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.57
ACD/KOC (pH 5.5): 119.06
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.57
ACD/KOC (pH 7.4): 119.06
Polar Surface Area: 122 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 337.8±3.0 cm3

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