ChemSpider 2D Image | (2S,3R)-2-(Hydroxymethyl)-6-oxotetrahydro-2H-pyran-3-yl myristate | C20H36O5

(2S,3R)-2-(Hydroxymethyl)-6-oxotetrahydro-2H-pyran-3-yl myristate

  • Molecular FormulaC20H36O5
  • Average mass356.497 Da
  • Monoisotopic mass356.256287 Da
  • ChemSpider ID23169736

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-(Hydroxymethyl)-6-oxotetrahydro-2H-pyran-3-yl myristate [ACD/IUPAC Name]
(2S,3R)-2-(hydroxymethyl)-6-oxotetrahydro-2H-pyran-3-yl tetradecanoate (non-preferred name)
(2S,3R)-2-(Hydroxymethyl)-6-oxotetrahydro-2H-pyran-3-ylmyristat [German] [ACD/IUPAC Name]
Myristate de (2S,3R)-2-(hydroxyméthyl)-6-oxotétrahydro-2H-pyran-3-yle [French] [ACD/IUPAC Name]
4-O-TETRADECANOYL-2,3-DIDEOXY-L-GLUCONO-1,5-LACTONE
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL311296/
Tetradecanoic acid (2S,3R)-2-hydroxymethyl-6-oxo-tetrahydro-pyran-3-yl ester

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

Density: 1.0±0.1 g/cm3
Boiling Point: 450.3±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.8±6.0 kJ/mol
Flash Point: 145.3±13.1 °C
Index of Refraction: 1.482
Molar Refractivity: 97.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8509.01
ACD/KOC (pH 5.5): 22625.47
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8509.01
ACD/KOC (pH 7.4): 22625.47
Polar Surface Area: 73 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 40.4±5.0 dyne/cm
Molar Volume: 343.4±5.0 cm3

Click to predict properties on the Chemicalize site


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