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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Chemical Details

Formal Charge0
Atom Count133
Chiral Atom Count7
Bond Count132
Aromatic Bond Count0
2D diagram of PH1

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Chemical Component Summary

Name1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE
SynonymsPHYTANYL 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
FormulaC43 H88 O2
Molecular Weight637.158
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)CC(OCCC(CCCC(CCCC(C)CCCC(C)C)C)C)C
SMILESCACTVS3.341CC(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
SMILESOpenEye OEToolkits1.5.0CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(C)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C
Canonical SMILESCACTVS3.341 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 SMILESOpenEye OEToolkits1.5.0 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
InChIInChI1.03 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
InChIKeyInChI1.03 ICKFQWWHLUUVMF-FYYCEQFTSA-N

Related Resource References

Resource NameReference
PubChem 448112