PC8

1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE

Created:	2004-07-27
Last modified:	2011-06-04

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2 entries where PC8 is found as a standalone ligand1 entries where PC8 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	1
Atom Count	83
Chiral Atom Count	2
Bond Count	82
Aromatic Bond Count	0

2D diagram of PC8

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Chemical Component Summary
Name	1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Systematic Name (OpenEye OEToolkits)	2-[[(2R)-2,3-di(octanoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium
Formula	C₂₄ H₄₉ N O₈ P
Molecular Weight	510.622
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OCC(OC(=O)CCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCC
SMILES	CACTVS	3.341	CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC
Canonical SMILES	CACTVS	3.341	CCCCCCCC(=O)OC[C@H](CO[P@@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC
InChI	InChI	1.03	InChI=1S/C24H48NO8P/c1-6-8-10-12-14-16-23(26)30-20-22(33-24(27)17-15-13-11-9-7-2)21-32-34(28,29)31-19-18-25(3,4)5/h22H,6-21H2,1-5H3/p+1/t22-/m1/s1
InChIKey	InChI	1.03	YHIXRNNWDBPKPW-JOCHJYFZSA-O

Related Resource References

Resource Name	Reference
PubChem	5313816

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