165689-81-6

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165689-81-6 Structure

Identification	Back Directory
[Name] D-myo-Inositol, 1-(2R)-2,3-bis(1-oxohexadecyl)oxypropyl hydrogen phosphate 3-(dihydrogen phosphate)
[CAS] 165689-81-6
[Synonyms] Cmc_6572 Cmc_9578 PtdIns(3)P Dipalmitoylphosphoinositol D-Myo-phosphatidylinositol 3-phosphate (ptdins(3)p) Phosphatidylinositol 3-phosphate diC16 (PI(3)P diC16) 1,2-Dipalmitoyl-sn-glycero-3-phospho-(1'-myoinositol-4'-phosphate) (R)-2-Hexadecanoyloxy-3-[hydroxy-((1S,2R,3R,4S,5S,6R)-2,4,5,6-tetrahydroxy-3- Hexadecanoic acid, (1R)-2-[[hydroxy[[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5- Hexadecanoic acid, 1-[[[hydroxy[[2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy] (Phosphonooxy)cyclohexyl]oxy]phosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester D-myo-Inositol, 1-(2R)-2,3-bis(1-oxohexadecyl)oxypropyl hydrogen phosphate 3-(dihydrogen phosphate) D-Myo-inositol, 1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3-(dihydrogen phosphate) (9ci) (2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
[Molecular Formula] C41H80O16P2
[MOL File] 165689-81-6.mol
[Molecular Weight] 891.01

Chemical Properties	Back Directory
[Boiling point ] 921.1±75.0 °C(Predicted)
[density ] 1.21±0.1 g/cm3(Predicted)
[storage temp. ] -20°C
[solubility ] DMSO: soluble chloroform: soluble ethanol: soluble
[pka] 1.43±0.50(Predicted)

Hazard Information	Back Directory
[Uses] PtdIns-(3)-P1 (1,2-dipalmitoyl)-d62 (ammonium) is deuterium labeled PtdIns(3)P[1].
[Definition] ChEBI:1,2-dipalmitoyl-sn-glycero-3-phospho-(1'D-myo-inositol-3'-phosphate) is a 1-phosphatidyl-1D-myo-inositol 3-phosphate in which both phosphatidyl acyl groups are specified as palmitoyl (hexadecanoyl). It is a 1-phosphatidyl-1D-myo-inositol 3-phosphate and a 1,2-dipalmitoylglycero-3-phospho-(1'-D-myo-inositol-3'-phosphate). It is functionally related to a hexadecanoic acid.
[References] [1] Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. DOI:10.1177/1060028018797110

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