PBW

(1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol

Created:2020-04-20
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count4
Bond Count27
Aromatic Bond Count0
2D diagram of PBW

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Chemical Component Summary

Name(1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
Systematic Name (OpenEye OEToolkits)(1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
FormulaC7 H14 O6
Molecular Weight194.182
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
SMILESOpenEye OEToolkits2.0.7C(C1C(C(C(C(C1O)O)O)O)O)O
Canonical SMILESCACTVS3.385 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
Canonical SMILESOpenEye OEToolkits2.0.7 C(C1[C@H]([C@@H](C(C([C@H]1O)O)O)O)O)O
InChIInChI1.03 InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3-,4+,5+,6-,7-
InChIKeyInChI1.03 QFYQIWDMMSKNFF-VQPJZGIOSA-N