ChemSpider 2D Image | (2Z)-6-O-Palmitoyl-L-threo-hex-2-enonic acid | C22H40O8

(2Z)-6-O-Palmitoyl-L-threo-hex-2-enonic acid

  • Molecular FormulaC22H40O8
  • Average mass432.548 Da
  • Monoisotopic mass432.272308 Da
  • ChemSpider ID26330358

  • 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,4R,5S)-2,3,4,5-TETRAHYDROXY-6-(PALMITOYLOXY)HEX-2-ENOIC ACID
(2Z)-6-O-Palmitoyl-L-threo-hex-2-enonic acid [ACD/IUPAC Name]
(2Z)-6-O-Palmitoyl-L-threo-hex-2-enonsäure [German] [ACD/IUPAC Name]
Acide (2Z)-6-O-palmitoyl-L-thréo-hex-2-énonique [French] [ACD/IUPAC Name]
L-threo-Hex-2-enonic acid, 6-O-(1-oxohexadecyl)-, (2Z)- [ACD/Index Name]
(2Z,4R,5S)-6-(hexadecanoyloxy)-2,3,4,5-tetrahydroxyhex-2-enoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 667.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±6.0 kJ/mol
Flash Point: 222.3±25.0 °C
Index of Refraction: 1.517
Molar Refractivity: 113.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 8.68
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 68.35
ACD/KOC (pH 5.5): 165.73
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 2.93
ACD/KOC (pH 7.4): 7.11
Polar Surface Area: 145 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 373.8±3.0 cm3

Click to predict properties on the Chemicalize site


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