[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
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![[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6938c6bb7e034d74a5c2b3f531fb69fa.png "[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate")
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
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CAS No:
120595-88-2
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Formula:
C41H81O19P3
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Chemical Name:
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
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Synonyms:
1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate);120595-88-2;1,2-Dipalmitoyl-L-alpha-phosphatidyl-D-myo-inositol 4,5-bisphosphate;[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate;PtdIns(4,5)P;D-myo-PI[4,5]P2;CHEBI:84251;DTXSID50349239;P4,5I;CMC_6844;CMC_7217;CMC_10507;CMC_11418;CMC_11419;CMC_11848;CMC_12113;PI[4,5]P2;ZINC150339451;D-myo-Phosphatidylinositol 4,5-bisphosphate;J-004368;Q27157619;PIP2[4',5'](16:0/16:0);L-alpha-Phosphatidyl-D-myo-inositol 4,5-diphosphate, dipalmitoyl;(phosphonooxy)cyclohexyl]oxy]phosphinyl]oxy]methyl]-1,2-ethanediyl ester;1,2-dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate);1-O-(1-O,2-O-Dipalmitoyl-L-glycero-3-phospho)-D-myo-inositol 4,5-bis(phosphoric acid);hexadecanoic acid, (1R)-1-[[[hydroxy[[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis
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CAS No:
Description
1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate) is a 1-phosphatidyl-1D-myo-inositol 4,5-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-4,5-bisphosphate)(5-).
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate Basic Attributes
971.0 g/mol
970.45849134 g/mol
DTXSID50349239
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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