ChemSpider 2D Image | (2S)-2,3-Bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl (2R)-2-hydroxy-3-[(hydroxyphosphinato)oxy]propyl phosphate | C46H94O11P2

(2S)-2,3-Bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl (2R)-2-hydroxy-3-[(hydroxyphosphinato)oxy]propyl phosphate

  • Molecular FormulaC46H94O11P2
  • Average mass885.181 Da
  • Monoisotopic mass884.628235 Da
  • ChemSpider ID4450792

  • Charge - Charge

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2S)-2,3-Bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl (2R)-2-hydroxy-3-[(hydroxyphosphinato)oxy]propyl phosphate [ACD/IUPAC Name]
(2S)-2,3-Bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl-(2R)-2-hydroxy-3-[(hydroxyphosphinato)oxy]propylphosphat [German] [ACD/IUPAC Name]
Phosphate de (2S)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tétraméthylhexadécyl]oxy}propyle et de (2R)-2-hydroxy-3-[(hydroxyphosphinato)oxy]propyle [French] [ACD/IUPAC Name]
Phosphoric acid, (2S)-2,3-bis[[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy]propyl (2R)-2-hydroxy-3-(phosphonooxy)propyl ester, ion(2-) [ACD/Index Name]
2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE
L3P

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

Density:
Boiling Point: 849.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.4±6.0 kJ/mol
Flash Point: 467.6±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 15.95
ACD/LogD (pH 5.5): 8.59
ACD/BCF (pH 5.5): 159191.73
ACD/KOC (pH 5.5): 9328.70
ACD/LogD (pH 7.4): 7.86
ACD/BCF (pH 7.4): 29866.18
ACD/KOC (pH 7.4): 1750.17
Polar Surface Area: 186 Å2
Polarizability:
Surface Tension:
Molar Volume:

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