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

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

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

CAS No:
165883-85-2
Formula:
C41H81O19P3
Chemical Name:
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
Synonyms:
3,4-PIP2;phosphatidylinositol 3,4-biphosphate;phosphatidylinositol 3,4-bisphosphate;phosphatidylinositol 3,4-diphosphate;PtdIns(3,4)P2;D-myo-PI[3,4]P2;165883-85-2;P3,4I;phosphatidyl (3,4) inositol biphosphate;phosphatidyl (3,4) inositol bisphosphate;1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate);[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate;PtdIns(3,4)P2;PI(3,4)P2;PI[3,4]P2;phosphatidylinositol 3,4-bisphosphate;PtdIns(3,4)P;PIP2[3',4'](16:0/16:0);(dihydrogen phosphate) (9CI);GTPL2793;CHEBI:84247;DTXSID30349237;CMC_6569;CMC_9576;phosphatidylinositol-4,5-diphosphate;CMC_11404;ZINC150339443;phosphatidylinositol (3,4)-bisphosphate;Dipalmitoylphosphatidylinositol 3,4-bisphosphate;Q413692;L-alpha-Phosphatidyl-D-myo-inositol 3,4-diphosphate, dipalmitoyl;1,2-dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate);D-myo-Inositol, 1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3,4-bis;hexadecanoic acid, (1R)-2-[[hydroxy[[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-bis;(2R)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dihexadecanoate;D-myo-Inositol, 1-[2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3,4-bis(dihydrogen phosphate), (R)-

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Description

1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate) is a 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate 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-3,4-bisphosphate)(5-).

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

Molecular Weight：

971.0 g/mol

Exact Mass：

970.45849134 g/mol

DSSTox ID：

DTXSID30349237

Characteristics

PSA：

303 Å²

Drug Information

MeSH Entry Terms：

3,4-PIP2

Computed Properties

Molecular Weight:971.0
XLogP3:8
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:42
Exact Mass:970.45849134
Monoisotopic Mass:970.45849134
Topological Polar Surface Area:303
Heavy Atom Count:63
Complexity:1350
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,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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