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Search term: LLSAQDVHMPQDCK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Methyl-2-propanyl 2-acetyl-2,3-dideoxy-4,5-O-(oxomethylene)-5-C-phenyl-2-[(2E)-3-phenyl-2-propen-1-yl]-L-threo-pentonate | C27H30O6

2-Methyl-2-propanyl 2-acetyl-2,3-dideoxy-4,5-O-(oxomethylene)-5-C-phenyl-2-[(2E)-3-phenyl-2-propen-1-yl]-L-threo-pentonate

  • Molecular FormulaC27H30O6
  • Average mass450.523 Da
  • Monoisotopic mass450.204254 Da
  • ChemSpider ID30650819

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-Acétyl-2,3-didésoxy-4,5-O-(oxométhylène)-5-C-phényl-2-[(2E)-3-phényl-2-propén-1-yl]-L-thréo-pentonate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-acetyl-2,3-dideoxy-4,5-O-(oxomethylene)-5-C-phenyl-2-[(2E)-3-phenyl-2-propen-1-yl]-L-threo-pentonate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-acetyl-2,3-didesoxy-4,5-O-(oxomethylen)-5-C-phenyl-2-[(2E)-3-phenyl-2-propen-1-yl]-L-threo-pentonat [German] [ACD/IUPAC Name]
L-threo-Pentonic acid, 2-acetyl-4,5-O-carbonyl-2,3-dideoxy-5-C-phenyl-2-[(2E)-3-phenyl-2-propen-1-yl]-, 1,1-dimethylethyl 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: 642.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 274.1±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 125.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 4620.28
ACD/KOC (pH 5.5): 14613.78
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4620.28
ACD/KOC (pH 7.4): 14613.78
Polar Surface Area: 79 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 387.2±3.0 cm3

Click to predict properties on the Chemicalize site


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