ChemSpider 2D Image | (2S,4S,6S)-1-[(2S)-6-Oxo-3,6-dihydro-2H-pyran-2-yl]-2,4,6-henicosanetriyl triacetate | C32H54O8

(2S,4S,6S)-1-[(2S)-6-Oxo-3,6-dihydro-2H-pyran-2-yl]-2,4,6-henicosanetriyl triacetate

  • Molecular FormulaC32H54O8
  • Average mass566.766 Da
  • Monoisotopic mass566.381897 Da
  • ChemSpider ID9961052

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,4S,6S)-1-[(2S)-6-Oxo-3,6-dihydro-2H-pyran-2-yl]-2,4,6-henicosanetriyl triacetate [ACD/IUPAC Name]
(2S,4S,6S)-1-[(2S)-6-Oxo-3,6-dihydro-2H-pyran-2-yl]-2,4,6-henicosantriyl-triacetat [German] [ACD/IUPAC Name]
2H-Pyran-2-one, 5,6-dihydro-6-[(2S,4S,6S)-2,4,6-tris(acetyloxy)heneicosyl]-, (6S)- [ACD/Index Name]
Triacétate de (2S,4S,6S)-1-[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-2,4,6-hénicosanetriyle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 648.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 265.3±30.2 °C
Index of Refraction: 1.476
Molar Refractivity: 154.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 7.96
ACD/LogD (pH 5.5): 8.62
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1159216.75
ACD/LogD (pH 7.4): 8.62
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1159216.75
Polar Surface Area: 105 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 549.1±3.0 cm3

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