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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6 entries where PBW is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	4
Bond Count	27
Aromatic Bond Count	0

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
Formula	C₇ H₁₄ O₆
Molecular Weight	194.182
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	2.0.7	C(C1C(C(C(C(C1O)O)O)O)O)O
Canonical SMILES	CACTVS	3.385	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C(C1[C@H]([C@@H](C(C([C@H]1O)O)O)O)O)O
InChI	InChI	1.03	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-
InChIKey	InChI	1.03	QFYQIWDMMSKNFF-VQPJZGIOSA-N

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