ChemSpider 2D Image | 3-[(Hydroxy{[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl dihexadecanoate | C41H79O13P

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

  • Molecular FormulaC41H79O13P
  • Average mass811.032 Da
  • Monoisotopic mass810.525818 Da
  • ChemSpider ID168467

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

3-[(Hydroxy{[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propandiyl-dihexadecanoat [German] [ACD/IUPAC Name]
3-[(Hydroxy{[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl dihexadecanoate [ACD/IUPAC Name]
Dihexadécanoate de 3-[(hydroxy{[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
Hexadecanoic acid, 1-[[[hydroxy[[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy]phosphinyl]oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
2,3-BIS(HEXADECANOYLOXY)PROPOXY([(2S,3R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL]OXY)PHOSPHINIC ACID
62742-56-7 [RN]
Dipalmitoyl phosphatidylinositol
Dipalmitoyl-ptdin
D-Myo-inositol, 1-(2,3-bis((1-oxohexadecyl)oxy)propyl hydrogen phosphate)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 831.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.5±6.0 kJ/mol
Flash Point: 456.6±37.1 °C
Index of Refraction: 1.514
Molar Refractivity: 212.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 4
ACD/LogP: 13.16
ACD/LogD (pH 5.5): 7.60
ACD/BCF (pH 5.5): 52601.17
ACD/KOC (pH 5.5): 8799.33
ACD/LogD (pH 7.4): 7.54
ACD/BCF (pH 7.4): 45437.95
ACD/KOC (pH 7.4): 7601.04
Polar Surface Area: 219 Å2
Polarizability: 84.4±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 707.0±5.0 cm3

Click to predict properties on the Chemicalize site


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