 Home > Encyclopedia > [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate

[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate

[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate structure

CAS No:
57606-15-2
Formula:
C41H80O16P2
Chemical Name:
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
Synonyms:
PtdIns(4)P;1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate);57606-15-2;D-myo-PI[4]P;PI4P;oxy]phosphinyl]oxy]methyl]-1,2-ethanediyl ester;PI[4]P;CHEBI:84263;DTXSID80349242;phosphatidylinositol-4-monophosphate;oxy]propane-1,2-diyl dihexadecanoate;ZINC150339448;phosphatidyl (4) inositol monophosphate;PIP[4'](16:0/16:0);D-myo-Phosphatidylinositol 4-phosphate (PtdIns(4)P);Q27157627;1,2-dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate);(R)-2-hexadecanoyloxy-3-[hydroxy-((1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-4-;1-O-(1-O,2-O-Dihexadecanoyl-L-glycero-3-phospho)-D-myo-inositol 4-phosphoric acid;3-[(hydroxy{[2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl);hexadecanoic acid, (1R)-1-[[[hydroxy[[(1alpha,2alpha,3alpha,4beta,5alpha,6beta)-;hexadecanoic acid, 1-[[[hydroxy[[2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl];(2R)-3-[(hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dihexadecanoate;[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate;2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy]phosphinyl]oxy]methyl]-1,2-ethanediyl ester;D-myo-Inositol, 1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 4-(dihydrogen phosphate) (9CI);D-myo-Inositol, 1-[2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 4-(dihydrogen phosphate), (R)-;R-1-[2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 4-(dihydrogen phosphate) D-myo-inositol

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Description

1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate) is a 1-phosphatidyl-1D-myo-inositol 4-phosphate in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as hexadecanoyl (palmitoyl). It derives from a hexadecanoic acid. It is a conjugate acid of a 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3-).

[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate Basic Attributes

Molecular Weight：

891.0 g/mol

Exact Mass：

890.49216046 g/mol

DSSTox ID：

DTXSID80349242

Characteristics

PSA：

256 Å²

Computed Properties

Molecular Weight:891.0
XLogP3:9.1
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:40
Exact Mass:890.49216046
Monoisotopic Mass:890.49216046
Topological Polar Surface Area:256
Heavy Atom Count:59
Complexity:1160
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate

Description
Basic Attributes
Characteristics
Computed Properties
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