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3-({Hydroxy[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphoryl}oxy)propane-1,2-diyl dihexadecanoate

HCID 190859
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
156925-83-6
Standard SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H](O)[C@H](O)C(O)[C@@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC
InChIKey
IBUKXRINTKQBRQ-JGFNFWMDSA-N
Molecular formula
C41H79O13P
Average molar mass
811.044 g/mol
Monoisotopic mass
810.52582922

Names & identifiers

Preferred name
3-({Hydroxy[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphoryl}oxy)propane-1,2-diyl dihexadecanoate
IUPAC
(2R)-3-[(Hydroxy{[(2S,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dihexadecanoate
English name
2-O-(1,2-O-dipalmitoyl-sn-glycero-3-phospho)inositol
Molecular formula
C41H79O13P
Molecular weight
811.03

Names & synonyms

2-O-(1,2-O-dipalmitoyl-sn-glycero-3-phospho)inositolD-chiro-Inositol, 2-[2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate], (R)- (9CI)

Database identifiers

CAS
156925-83-6
PubChem CID
190859
DTXSID
DTXSID70935572

Properties

Physicochemical properties

Boiling point
831.4 · 831.4±75.0 °C(Predicted)
Density
1.14 · 1.14±0.1 g/cm3(Predicted)
pka
1.43 · 1.43±0.50(Predicted)

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