QE8

(1~{R},2~{R},3~{R},4~{S},5~{R})-4-[[(1~{S},2~{S},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol

Created: 2020-06-10
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count10
Bond Count50
Aromatic Bond Count0
2D diagram of QE8
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Chemical Component Summary

Name(1~{R},2~{R},3~{R},4~{S},5~{R})-4-[[(1~{S},2~{S},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol
Systematic Name (OpenEye OEToolkits)(1~{R},2~{R},3~{R},4~{S},5~{R})-4-[[(1~{S},2~{S},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol
FormulaC14 H26 O9
Molecular Weight338.351
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385OC[CH]1C[CH](OC[CH]2[CH](O)C[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
SMILESOpenEye OEToolkits2.0.7C1C(C(C(C(C1OCC2C(CC(C(C2O)O)O)O)O)O)O)CO
Canonical SMILESCACTVS3.385 OC[C@H]1C[C@H](OC[C@H]2[C@H](O)C[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
Canonical SMILESOpenEye OEToolkits2.0.7 C1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1OC[C@H]2[C@@H](C[C@H]([C@H]([C@@H]2O)O)O)O)O)O)O)CO
InChIInChI1.03 InChI=1S/C14H26O9/c15-3-5-1-9(13(21)14(22)10(5)18)23-4-6-7(16)2-8(17)12(20)11(6)19/h5-22H,1-4H2/t5-,6+,7-,8-,9+,10-,11-,12-,13-,14+/m1/s1
InChIKeyInChI1.03 MMLZDIWCSZCWBQ-JKSPTNTFSA-N

Related Resource References

Resource NameReference
PubChem 155923714