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Search term: GKRASOJOCMJQMF-DUXRJKJQSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2R)-3-[(1-Hydroxyhexyl)oxy]-2-[(1-hydroxypentadecyl)oxy]propyl (2R)-2-{[(1S)-1-hydroxypentadecyl]oxy}-3-[(1-hydroxytridecyl)oxy]propyl 2-hydroxy-1,3-propanediyl bis[hydrogen (R,S)-phosphate] | C58H120O17P2

(2R)-3-[(1-Hydroxyhexyl)oxy]-2-[(1-hydroxypentadecyl)oxy]propyl (2R)-2-{[(1S)-1-hydroxypentadecyl]oxy}-3-[(1-hydroxytridecyl)oxy]propyl 2-hydroxy-1,3-propanediyl bis[hydrogen (R,S)-phosphate]

  • Molecular FormulaC58H120O17P2
  • Average mass1151.511 Da
  • Monoisotopic mass1150.800049 Da
  • ChemSpider ID4450176

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

(2R)-3-[(1-Hydroxyhexyl)oxy]-2-[(1-hydroxypentadecyl)oxy]propyl (2R)-2-{[(1S)-1-hydroxypentadecyl]oxy}-3-[(1-hydroxytridecyl)oxy]propyl 2-hydroxy-1,3-propanediyl bis[hydrogen (R,S)-phosphate] [ACD/IUPAC Name]
(2R)-3-[(1-Hydroxyhexyl)oxy]-2-[(1-hydroxypentadecyl)oxy]propyl-(2R)-2-{[(1S)-1-hydroxypentadecyl]oxy}-3-[(1-hydroxytridecyl)oxy]propyl-2-hydroxy-1,3-propandiylbis[hydrogen(R,S)-phosphat] [German] [ACD/IUPAC Name]
Bis[hydrogéno(R,S)-phosphate] de (2R)-3-[(1-hydroxyhexyl)oxy]-2-[(1-hydroxypentadécyl)oxy]propyle et de (2R)-2-{[(1S)-1-hydroxypentadécyl]oxy}-3-[(1-hydroxytridécyl)oxy]propyle et de 2-hydroxy-1,3-pro panediyle [French] [ACD/IUPAC Name]
21401-20-7 [RN]
30329-30-7 [RN]
38-57-3 [RN]
7164-64-9 [RN]
97905-92-5 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 983.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 162.5±6.0 kJ/mol
Flash Point: 548.6±37.1 °C
Index of Refraction: 1.489
Molar Refractivity: 308.9±0.3 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 63
#Rule of 5 Violations: 4
ACD/LogP: 19.65
ACD/LogD (pH 5.5): 11.62
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 444787.75
ACD/LogD (pH 7.4): 11.62
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 444239.69
Polar Surface Area: 269 Å2
Polarizability: 122.5±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 1070.3±3.0 cm3

Click to predict properties on the Chemicalize site


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