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Search term: 78440357 (Found by CSID)
ChemSpider 2D Image | (2R,3S)-2-(15-Acetoxypentadecyl)-4-methylene-5-oxotetrahydro-3-furancarboxylic acid | C23H38O6

(2R,3S)-2-(15-Acetoxypentadecyl)-4-methylene-5-oxotetrahydro-3-furancarboxylic acid

  • Molecular FormulaC23H38O6
  • Average mass410.544 Da
  • Monoisotopic mass410.266846 Da
  • ChemSpider ID78440357

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-2-(15-Acetoxypentadecyl)-4-methylen-5-oxotetrahydro-3-furancarbonsäure [German] [ACD/IUPAC Name]
(2R,3S)-2-(15-Acetoxypentadecyl)-4-methylene-5-oxotetrahydro-3-furancarboxylic acid [ACD/IUPAC Name]
3-Furancarboxylic acid, 2-[15-(acetyloxy)pentadecyl]tetrahydro-4-methylene-5-oxo-, (2R,3S)- [ACD/Index Name]
Acide (2R,3S)-2-(15-acétoxypentadécyl)-4-méthylène-5-oxotétrahydro-3-furanecarboxylique [French] [ACD/IUPAC Name]
(+)-myelochroic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 558.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 91.9±6.0 kJ/mol
Flash Point: 182.5±23.6 °C
Index of Refraction: 1.492
Molar Refractivity: 111.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 75.75
ACD/KOC (pH 5.5): 159.31
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 4.37
ACD/KOC (pH 7.4): 9.18
Polar Surface Area: 90 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 383.9±5.0 cm3

Click to predict properties on the Chemicalize site


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