ChemSpider 2D Image | PC | C32H64NO8P

PC

  • Molecular FormulaC32H64NO8P
  • Average mass621.826 Da
  • Monoisotopic mass621.436951 Da
  • ChemSpider ID447460
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2,3-Bis(dodecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2,3-Bis(dodecanoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
(7R)-4-Hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxododecyl)oxy]-3,5,9-trioxa-4-phosphaheneicosan-1-aminium 4-oxide, inner salt
1,2-Dilauroyl-sn-glycero-3-phosphocholine
1,2-Dilauroyl-sn-glycero-3-phosphorylcholine
127641-86-5 [RN]
18194-25-7 [RN]
242-086-4 [EINECS]
3-sn-Phosphatidylcholine, 1,2-dilauroyl
5676925
More...

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

31NE1DVE91 [DBID]
AIDS187921 [DBID]
AIDS-187921 [DBID]
LMGP01010429 [DBID]
P1534_SIGMA [DBID]
UNII:31NE1DVE91 [DBID]
UNII-31NE1DVE91 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      A phosphatidylcholine 24:0 in which the acyl groups at positions 1 and 2 are specified as lauroyl (dodecanoyl). ChEBI CHEBI:65211, https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65211
    • Bio Activity:

      Cell Biology Tocris Bioscience 4378
      Cell Metabolism Tocris Bioscience 4378
      Lipid Metabolism Tocris Bioscience 4378
      LRH-1 agonist; regulates bile acid metabolism Tocris Bioscience 4378
      Other Lipid Metabolism Tocris Bioscience 4378
      Selective agonist of the orphan nuclear receptor LRH-1 (liver receptor homolog-1, NR5A2) in vitro. Induces bile acid biosynthetic enzymes; increases bile acid and decreases hepatic triglycerides and s erum glucose. Exhibits antidiabetic effects. Tocris Bioscience 4378
      Selective agonist of the orphan nuclear receptor LRH-1 (liver receptor homolog-1, NR5A2) in vitro. Induces bile acid biosynthetic enzymes; increases bile acid and decreases hepatic triglycerides and serum glucose. Exhibits antidiabetic effects. Tocris Bioscience 4378
      Selective liver receptor homolog-1 (LRH-1) agonist Tocris Bioscience 4378

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 51888.51
ACD/KOC (pH 5.5): 122222.73
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 51890.28
ACD/KOC (pH 7.4): 122226.90
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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