ChemSpider 2D Image | (3R,4S)-3,4-Bis(ethoxycarbonyl)hexanedioic acid | C12H18O8

(3R,4S)-3,4-Bis(ethoxycarbonyl)hexanedioic acid

  • Molecular FormulaC12H18O8
  • Average mass290.267 Da
  • Monoisotopic mass290.100159 Da
  • ChemSpider ID57389662

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-3,4-Bis(ethoxycarbonyl)hexandisäure [German] [ACD/IUPAC Name]
(3R,4S)-3,4-Bis(ethoxycarbonyl)hexanedioic acid [ACD/IUPAC Name]
1,2,3,4-Butanetetracarboxylic acid, 2,3-diethyl ester, (2R,3S)- [ACD/Index Name]
Acide (3R,4S)-3,4-bis(éthoxycarbonyl)hexanedioïque [French] [ACD/IUPAC Name]
1417201-88-7 [RN]
MFCD28502578

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

Density: 1.3±0.1 g/cm3
Boiling Point: 491.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.0±6.0 kJ/mol
Flash Point: 184.0±22.2 °C
Index of Refraction: 1.486
Molar Refractivity: 64.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): -1.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 223.6±3.0 cm3

Click to predict properties on the Chemicalize site


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