ChemSpider 2D Image | (2R)-3-[(Hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl dioctadecanoate | C45H87O13P

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

  • Molecular FormulaC45H87O13P
  • Average mass867.138 Da
  • Monoisotopic mass866.588440 Da
  • ChemSpider ID24767693

  • defined stereocentres - 3 of 7 defined stereocentres

More details:

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

(2R)-3-[(Hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propandiyl-dioctadecanoat [German] [ACD/IUPAC Name]
(2R)-3-[(Hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl dioctadecanoate [ACD/IUPAC Name]
Dioctadécanoate de (2R)-3-[(hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
Octadecanoic acid, (1R)-2-[[hydroxy[[(1α,3α)-2,3,4,5,6-pentahydroxycyclohexyl]oxy]phosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2R)-2,3-bis(octadecanoyloxy)propoxy[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphinic acid
1,2-Dioctadecanoyl-rac-glycero-3-phospho-(1'-myo-inositol)
1,2-Distearoyl-rac-glycero-3-phosphoinositol
Phosphatidylinositol(18:0/18:0)
Phosphatidylinositol(36:0)
PI(18:0/18:0)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 863.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.6±6.0 kJ/mol
Flash Point: 475.8±37.1 °C
Index of Refraction: 1.512
Molar Refractivity: 231.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 4
ACD/LogP: 15.28
ACD/LogD (pH 5.5): 9.15
ACD/BCF (pH 5.5): 789241.00
ACD/KOC (pH 5.5): 61146.52
ACD/LogD (pH 7.4): 9.08
ACD/BCF (pH 7.4): 681762.25
ACD/KOC (pH 7.4): 52819.59
Polar Surface Area: 219 Å2
Polarizability: 91.7±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 770.9±5.0 cm3

Click to predict properties on the Chemicalize site


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