PH1

1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE

Created:	1999-07-08
Last modified:	2021-03-01

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1 entries where PH1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	133
Chiral Atom Count	7
Bond Count	132
Aromatic Bond Count	0

2D diagram of PH1

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Chemical Component Summary
Name	1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE
Synonyms	PHYTANYL MOIETY
Systematic Name (OpenEye OEToolkits)	(3S,7S,11S)-3,7,11,15-tetramethyl-1-[(2R)-2-[(3S,7S,11S)-3,7,11,15-tetramethylhexadecoxy]propoxy]hexadecane
Formula	C₄₃ H₈₈ O₂
Molecular Weight	637.158
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)CC(OCCC(CCCC(CCCC(C)CCCC(C)C)C)C)C
SMILES	CACTVS	3.341	CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](C)OCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)C
SMILES	OpenEye OEToolkits	1.5.0	CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(C)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C
Canonical SMILES	CACTVS	3.341	CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@@H](C)OCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@@H](C)OCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C
InChI	InChI	1.03	InChI=1S/C43H88O2/c1-35(2)18-12-20-37(5)22-14-24-39(7)26-16-28-41(9)30-32-44-34-43(11)45-33-31-42(10)29-17-27-40(8)25-15-23-38(6)21-13-19-36(3)4/h35-43H,12-34H2,1-11H3/t37-,38-,39-,40-,41-,42-,43+/m0/s1
InChIKey	InChI	1.03	ICKFQWWHLUUVMF-FYYCEQFTSA-N

Related Resource References

Resource Name	Reference
PubChem	448112

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