[(2R)-2-hexanoyloxy-3-[hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] hexanoate
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[(2R)-2-hexanoyloxy-3-[hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] hexanoate
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CAS No:
148437-41-6
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Formula:
C21H39O13P
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Chemical Name:
[(2R)-2-hexanoyloxy-3-[hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] hexanoate
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Synonyms:
1,2-dihexanoyl-sn-glycero-3-phosphoinositol;di-C6-PI;148437-41-6;di-C6-PI;1,2-Dihexanoyl-sn-glycero-3-phosphoinositol;DTXSID80933408;3-({Hydroxy[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphoryl}oxy)propane-1,2-diyl dihexanoate
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CAS No:
[(2R)-2-hexanoyloxy-3-[hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] hexanoate Basic Attributes
530.5 g/mol
530.21282829 g/mol
Computed Properties
Molecular Weight:530.5
XLogP3:-0.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:18
Exact Mass:530.21282829
Monoisotopic Mass:530.21282829
Topological Polar Surface Area:210
Heavy Atom Count:35
Complexity:674
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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