ZPG

(2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL

Created: 2006-06-05
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count73
Chiral Atom Count7
Bond Count72
Aromatic Bond Count0
2D diagram of ZPG
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Chemical Component Summary

Name(2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL
Systematic Name (OpenEye OEToolkits)(2S)-1-[(2R)-1-[(2R)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2R)-2-hydroxypropoxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-ol
FormulaC21 H44 O8
Molecular Weight424.569
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O(CC(O)C)C(COC(C)COC(C)COC(C)COC(C)COCC(O)C)C
SMILESCACTVS3.341C[CH](O)COC[CH](C)OC[CH](C)OC[CH](C)OC[CH](C)OC[CH](C)OC[CH](C)O
SMILESOpenEye OEToolkits1.5.0CC(COCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O)O
Canonical SMILESCACTVS3.341 C[C@@H](O)COC[C@H](C)OC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)O
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@H](COC[C@H](C)OC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)O)O
InChIInChI1.03 InChI=1S/C21H44O8/c1-15(22)8-24-10-17(3)26-12-19(5)28-14-21(7)29-13-20(6)27-11-18(4)25-9-16(2)23/h15-23H,8-14H2,1-7H3/t15-,16+,17+,18-,19+,20-,21+/m1/s1
InChIKeyInChI1.03 XGDXHSHOQKNIEW-YSPFXGIPSA-N

Related Resource References

Resource NameReference
PubChem 11963525