6ER

Summary

Name:	(S)-2,3-bis(hexanoyloxy)propyl(2-(trimethylammonio)ethyl)phosphate
Formula:	C20 H41 N O8 P
Formal charge:	0
Formula weight:	454.515 Da
Component type:	NON-POLYMER
Ambiguous Chemistry Warning:	The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C20H41NO8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24,25)27-15-14-21(3,4)5/h18,24H,6-17H2,1-5H3/t18-/m0/s1
InChIKey	InChI	1.03	ZQODAMILHYQXDS-SFHVURJKSA-N
SMILES_CANONICAL	CACTVS	3.385	CCCCCC(=O)OC[C@@H](CO[P]([OH-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC
SMILES	CACTVS	3.385	CCCCCC(=O)OC[CH](CO[P]([OH-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC
SMILES_CANONICAL	OpenEye OEToolkits	2.0.5	CCCCCC(=O)OC[C@@H](COP(=O)([OH-])OCC[N+](C)(C)C)OC(=O)CCCCC
SMILES	OpenEye OEToolkits	2.0.5	CCCCCC(=O)OCC(COP(=O)([OH-])OCC[N+](C)(C)C)OC(=O)CCCCC