ChemSpider 2D Image | MFCD10569424 | C13H20O7

MFCD10569424

  • Molecular FormulaC13H20O7
  • Average mass288.294 Da
  • Monoisotopic mass288.120911 Da
  • ChemSpider ID22899801

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E)-2-(Carboxyméthyl)-2,3-didésoxy-4,5-O-isopropylidène-L-thréo-hex-2-énonate d'éthyle [French] [ACD/IUPAC Name]
1217468-73-9 [RN]
Ethyl (2E)-2-(carboxymethyl)-2,3-dideoxy-4,5-O-isopropylidene-L-threo-hex-2-enonate [ACD/IUPAC Name]
Ethyl-(2E)-2-(carboxymethyl)-2,3-didesoxy-4,5-O-isopropyliden-L-threo-hex-2-enonat [German] [ACD/IUPAC Name]
L-threo-Hex-2-enonic acid, 2-(carboxymethyl)-2,3-dideoxy-4,5-O-(1-methylethylidene)-, ethyl ester, (2E)- [ACD/Index Name]
MFCD10569424
ethyl (2E)-2-(carboxymethyl)-2,3-dideoxy-4,5-O-(1-methylethylidene)-L-threo-hex-2-enonate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 462.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.5±6.0 kJ/mol
Flash Point: 171.5±22.2 °C
Index of Refraction: 1.528
Molar Refractivity: 70.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.00
ACD/LogD (pH 7.4): -2.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 227.6±3.0 cm3

Click to predict properties on the Chemicalize site


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