ChemSpider 2D Image | 3-{[{[2,6-Bis(hexopyranosyloxy)-3,4,5-trihydroxycyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-1,2-propanediyl dihexadecanoate | C53H99O23P

3-{[{[2,6-Bis(hexopyranosyloxy)-3,4,5-trihydroxycyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-1,2-propanediyl dihexadecanoate

  • Molecular FormulaC53H99O23P
  • Average mass1135.313 Da
  • Monoisotopic mass1134.631470 Da
  • ChemSpider ID24541816

More details:

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

3-{[{[2,6-Bis(hexopyranosyloxy)-3,4,5-trihydroxycyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-1,2-propandiyl-dihexadecanoat [German] [ACD/IUPAC Name]
3-{[{[2,6-Bis(hexopyranosyloxy)-3,4,5-trihydroxycyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-1,2-propanediyl dihexadecanoate [ACD/IUPAC Name]
Dihexadécanoate de 3-{[{[2,6-bis(hexopyranosyloxy)-3,4,5-trihydroxycyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-1,2-propanediyle [French] [ACD/IUPAC Name]
Hexadecanoic acid, 1-[[[[[2,6-bis(hexopyranosyloxy)-3,4,5-trihydroxycyclohexyl]oxy]hydroxyphosphinyl]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±0.1 g/cm3
Boiling Point: 1105.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 183.8±6.0 kJ/mol
Flash Point: 622.6±37.1 °C
Index of Refraction: 1.555
Molar Refractivity: 280.3±0.4 cm3
#H bond acceptors: 23
#H bond donors: 12
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 4
ACD/LogP: 8.53
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 73.59
ACD/KOC (pH 5.5): 80.95
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 60.19
ACD/KOC (pH 7.4): 66.21
Polar Surface Area: 378 Å2
Polarizability: 111.1±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 872.7±5.0 cm3

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