ChemSpider 2D Image | 2,6-Dideoxy-1-C-(2-{[(12-methyltridecanoyl)oxy](1,3-oxazol-5-yl)methyl}-1,3-oxazol-4-yl)-D-threo-hexitol | C27H44N2O8

2,6-Dideoxy-1-C-(2-{[(12-methyltridecanoyl)oxy](1,3-oxazol-5-yl)methyl}-1,3-oxazol-4-yl)-D-threo-hexitol

  • Molecular FormulaC27H44N2O8
  • Average mass524.647 Da
  • Monoisotopic mass524.309753 Da
  • ChemSpider ID23243024
  • defined stereocentres - 2 of 5 defined stereocentres


More details:






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

2,6-Dideoxy-1-C-(2-{[(12-methyltridecanoyl)oxy](1,3-oxazol-5-yl)methyl}-1,3-oxazol-4-yl)-D-threo-hexitol [ACD/IUPAC Name]
2,6-Didesoxy-1-C-(2-{[(12-methyltridecanoyl)oxy](1,3-oxazol-5-yl)methyl}-1,3-oxazol-4-yl)-D-threo-hexitol [German] [ACD/IUPAC Name]
2,6-Didésoxy-1-C-(2-{[(12-méthyltridecanoyl)oxy](1,3-oxazol-5-yl)méthyl}-1,3-oxazol-4-yl)-D-thréo-hexitol [French] [ACD/IUPAC Name]
D-threo-Hexitol, 2,6-dideoxy-1-C-[2-[[(12-methyl-1-oxotridecyl)oxy]-5-oxazolylmethyl]-4-oxazolyl]- [ACD/Index Name]
12-Methyl-tridecanoic acid oxazol-5-yl-[4-((4S,5R)-1,3,4,5-tetrahydroxy-hexyl)-oxazol-2-yl]-methyl ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 689.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 371.1±31.5 °C
Index of Refraction: 1.525
Molar Refractivity: 137.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.59
ACD/KOC (pH 5.5): 475.61
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.59
ACD/KOC (pH 7.4): 475.61
Polar Surface Area: 159 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 447.3±3.0 cm3

Click to predict properties on the Chemicalize site






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