OPC

(7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE

Created:	2003-10-02
Last modified:	2021-03-01

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11 entries where OPC is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	142
Chiral Atom Count	2
Bond Count	141
Aromatic Bond Count	0

2D diagram of OPC

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Chemical Component Summary
Name	(7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE
Synonyms	DIOLEOYL-PHOSPHATIDYLCHOLINE
Systematic Name (OpenEye OEToolkits)	2-[hydroxy-[(2R)-2-methyl-2,3-bis[[(E)-octadec-8-enoyl]oxy]propoxy]phosphoryl]oxyethyl-trimethyl-azanium
Formula	C₄₅ H₈₇ N O₈ P
Molecular Weight	801.148
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OC(COP(=O)(OCC[N+](C)(C)C)O)(C)COC(=O)CCCCCC\C=C/CCCCCCCCC)CCCCCC/C=C/CCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCC=CCCCCCCC(=O)OC[C](C)(CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC=CCCCCCCCCC
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCC=CCCCCCCC(=O)OCC(C)(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC=CCCCCCCCCC
Canonical SMILES	CACTVS	3.341	CCCCCCCCC\C=C/CCCCCCC(=O)OC[C@](C)(CO[P@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC/C=C/CCCCCCCCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCC\C=C/CCCCCCC(=O)OC[C@](C)(CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C\CCCCCCCCC
InChI	InChI	1.03	InChI=1S/C45H86NO8P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43(47)51-41-45(3,42-53-55(49,50)52-40-39-46(4,5)6)54-44(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h23-26H,7-22,27-42H2,1-6H3/p+1/b25-23-,26-24+/t45-/m1/s1
InChIKey	InChI	1.03	CTQFGTDUPDRLRZ-CNMUNUSJSA-O

Related Resource References

Resource Name	Reference
PubChem	52944159

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