Found 1 result

Search term: MF = 'C_{43}H_{85}O_{19}P_{3}'
ChemSpider 2D Image | (2R)-3-[(Hydroxy{[(1S,5S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-2-(palmitoyloxy)propyl stearate | C43H85O19P3

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

  • Molecular FormulaC43H85O19P3
  • Average mass999.045 Da
  • Monoisotopic mass998.489807 Da
  • ChemSpider ID24767936

  • defined stereocentres - 3 of 7 defined stereocentres

More details:

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

(2R)-3-[(Hydroxy{[(1S,5S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-2-(palmitoyloxy)propyl stearate [ACD/IUPAC Name]
(2R)-3-[(Hydroxy{[(1S,5S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-2-(palmitoyloxy)propylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, (2R)-3-[[hydroxy[[(1S,5S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy]phosphinyl]oxy]-2-[(1-oxohexadecyl)oxy]propyl ester [ACD/Index Name]
Stéarate de (2R)-3-[(hydroxy{[(1S,5S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
[(1S,3S)-3-{[(2R)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2,4,5-trihydroxy-6-(phosphonooxy)cyclohexyl]oxyphosphonic acid
1-Octadecanoyl-2-hexadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4'-bisphosphate)
1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate
1-Stearoyl-2-palmitoyl-sn-glycero-3-phosphoinositol-bisphosphate
Phosphatidylinositol Diphosphate(18:0/16:0)
Phosphatidylinositol Diphosphate(34:0)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 1008.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 166.7±6.0 kJ/mol
Flash Point: 563.5±37.1 °C
Index of Refraction: 1.521
Molar Refractivity: 242.2±0.4 cm3
#H bond acceptors: 19
#H bond donors: 8
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 4
ACD/LogP: 13.37
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 158.43
ACD/KOC (pH 5.5): 33.26
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 5.75
ACD/KOC (pH 7.4): 1.21
Polar Surface Area: 332 Å2
Polarizability: 96.0±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 794.9±5.0 cm3

Click to predict properties on the Chemicalize site


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