ChemSpider 2D Image | 3-[(Hydroxy{[(2R,3R,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl dihexadecanoate | C41H81O19P3

3-[(Hydroxy{[(2R,3R,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl dihexadecanoate

  • Molecular FormulaC41H81O19P3
  • Average mass970.992 Da
  • Monoisotopic mass970.458496 Da
  • ChemSpider ID13110610

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

3-[(Hydroxy{[(2R,3R,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-1,2-propandiyl-dihexadecanoat [German] [ACD/IUPAC Name]
3-[(Hydroxy{[(2R,3R,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl dihexadecanoate [ACD/IUPAC Name]
Dihexadécanoate de 3-[(hydroxy{[(2R,3R,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
Hexadecanoic acid, 1-[[[hydroxy[[(2R,3R,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy]phosphinyl]oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]

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

Density: 1.3±0.0 g/cm3
Boiling Point: 995.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 164.6±0.0 kJ/mol
Flash Point: 556.1±0.0 °C
Index of Refraction: 1.522
Molar Refractivity: 232.9±0.0 cm3
#H bond acceptors: 19
#H bond donors: 8
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 4
ACD/LogP: 7.75
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 1.14
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 332 Å2
Polarizability: 92.3±0.0 10-24cm3
Surface Tension: 58.7±0.0 dyne/cm
Molar Volume: 763.0±0.0 cm3

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