2Q5

(2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol

Created:2014-01-05
Last modified:  2014-09-17

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count4
Bond Count42
Aromatic Bond Count0
2D diagram of 2Q5

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Chemical Component Summary

Name(2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol
Systematic Name (OpenEye OEToolkits)(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-oxidanylpropoxy]propoxy]propoxy]propan-1-ol
FormulaC12 H26 O5
Molecular Weight250.332
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(COC(COC(COC(C)CO)C)C)C
SMILESCACTVS3.385C[CH](O)CO[CH](C)CO[CH](C)CO[CH](C)CO
SMILESOpenEye OEToolkits1.7.6CC(CO)OCC(C)OCC(C)OCC(C)O
Canonical SMILESCACTVS3.385 C[C@@H](O)CO[C@@H](C)CO[C@H](C)CO[C@H](C)CO
Canonical SMILESOpenEye OEToolkits1.7.6 C[C@H](CO)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O
InChIInChI1.03 InChI=1S/C12H26O5/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12-/m1/s1
InChIKeyInChI1.03 QVHMSMOUDQXMRS-WISYIIOYSA-N

Related Resource References

Resource NameReference
PubChem 77620522