ChemSpider 2D Image | (2S,3S)-2-[(14R)-14-Hydroxypentadecyl]-4-methylene-5-oxotetrahydro-3-furancarboxylic acid | C21H36O5

(2S,3S)-2-[(14R)-14-Hydroxypentadecyl]-4-methylene-5-oxotetrahydro-3-furancarboxylic acid

  • Molecular FormulaC21H36O5
  • Average mass368.508 Da
  • Monoisotopic mass368.256287 Da
  • ChemSpider ID78439727

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S)-2-[(14R)-14-Hydroxypentadecyl]-4-methylen-5-oxotetrahydro-3-furancarbonsäure [German] [ACD/IUPAC Name]
(2S,3S)-2-[(14R)-14-Hydroxypentadecyl]-4-methylene-5-oxotetrahydro-3-furancarboxylic acid [ACD/IUPAC Name]
3-Furancarboxylic acid, tetrahydro-2-[(14R)-14-hydroxypentadecyl]-4-methylene-5-oxo-, (2S,3S)- [ACD/Index Name]
Acide (2S,3S)-2-[(14R)-14-hydroxypentadécyl]-4-méthylène-5-oxotétrahydro-3-furanecarboxylique [French] [ACD/IUPAC Name]
Allo-murolic 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: 548.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.2±6.0 kJ/mol
Flash Point: 184.4±23.6 °C
Index of Refraction: 1.499
Molar Refractivity: 101.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 13.35
ACD/KOC (pH 5.5): 46.00
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.65
Polar Surface Area: 84 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 346.6±5.0 cm3

Click to predict properties on the Chemicalize site


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