 Home > Encyclopedia > [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate

[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate

[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate structure

CAS No:
165689-81-6
Formula:
C41H80O16P2
Chemical Name:
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
Synonyms:
165689-81-6;1,2-dipalmitoyl-sn-glycero-3-phospho-(1'D-myo-inositol-3'-phosphate);L-alpha-Phosphatidyl-D-myo-inositol 3-monophosphate, dipalmitoyl;[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate;PtdIns(3)P;PI(3)P;CHEBI:82963;DTXSID20349241;CMC_6572;CMC_9578;phosphatidylinositol-3-monophosphate;ZINC150339436;Phosphatidyl (3) inositol monophosphate;Dipalmitoylphosphatidylinositol 3-phosphate;PIP[3'](16:0/16:0);D-myo-Phosphatidylinositol 3-phosphate (PtdIns(3)P);Q27156501;1,2-dihexadecanoyl-sn-glycero-3-phospho-(1'D-myo-inositol-3'-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];(2R)-3-[(hydroxy{[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dihexadecanoate;D-myo-Inositol, 1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3-(dihydrogen phosphate) (9CI);R-1-[2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3-(dihydrogen phosphate) D-myo-inositol

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Description

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 derives from a hexadecanoic acid.

[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate Basic Attributes

Molecular Weight：

891.0 g/mol

Exact Mass：

890.49216046 g/mol

DSSTox ID：

DTXSID20349241

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:1170
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate

Description
Basic Attributes
Characteristics
Computed Properties
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