ChemSpider 2D Image | 3-Carboxy-2-O-(3-carboxy-2-hydroxy-2-{2-oxo-5-[(1E,5Z,8Z)-1,5,8-tetradecatrien-1-yl]tetrahydro-3-furanyl}propanoyl)-3,4-dideoxypentaric acid | C28H38O13

3-Carboxy-2-O-(3-carboxy-2-hydroxy-2-{2-oxo-5-[(1E,5Z,8Z)-1,5,8-tetradecatrien-1-yl]tetrahydro-3-furanyl}propanoyl)-3,4-dideoxypentaric acid

  • Molecular FormulaC28H38O13
  • Average mass582.594 Da
  • Monoisotopic mass582.231262 Da
  • ChemSpider ID8070255

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Carboxy-2-O-(3-carboxy-2-hydroxy-2-{2-oxo-5-[(1E,5Z,8Z)-1,5,8-tetradecatrien-1-yl]tetrahydro-3-furanyl}propanoyl)-3,4-dideoxypentaric acid [ACD/IUPAC Name]
3-Carboxy-2-O-(3-carboxy-2-hydroxy-2-{2-oxo-5-[(1E,5Z,8Z)-1,5,8-tetradecatrien-1-yl]tetrahydro-3-furanyl}propanoyl)-3,4-didesoxypentarsäure [German] [ACD/IUPAC Name]
Acide 3-carboxy-2-O-(3-carboxy-2-hydroxy-2-{2-oxo-5-[(1E,5Z,8Z)-1,5,8-tétradécatrién-1-yl]tétrahydro-3-furanyl}propanoyl)-3,4-didésoxypentarique [French] [ACD/IUPAC Name]
Pentaric acid, 3-carboxy-2,3-dideoxy-, 3-carboxy-2-hydroxy-2-[tetrahydro-2-oxo-5-[(1E,5Z,8Z)-1,5,8-tetradecatrien-1-yl]-3-furanyl]propanoate [ACD/Index Name]
CJ-15,183

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

Density: 1.4±0.1 g/cm3
Boiling Point: 774.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.5±6.0 kJ/mol
Flash Point: 247.6±26.4 °C
Index of Refraction: 1.583
Molar Refractivity: 142.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 4.59
ACD/LogD (pH 5.5): -2.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 222 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 69.2±3.0 dyne/cm
Molar Volume: 426.5±3.0 cm3

Click to predict properties on the Chemicalize site


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