LXE

[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium

Created:	2019-09-27
Last modified:	2024-09-27

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1 entries where LXE is found as a standalone ligand2 entries where LXE is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	1
Atom Count	24
Chiral Atom Count	4
Bond Count	24
Aromatic Bond Count	0

2D diagram of LXE

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Chemical Component Summary
Name	[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium
Systematic Name (OpenEye OEToolkits)	[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium
Formula	C₆ H₁₄ N O₃
Molecular Weight	148.18
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	[NH3+][CH]1C[CH](O)[CH](O)[CH]1CO
SMILES	OpenEye OEToolkits	2.0.7	C1C(C(C(C1O)O)CO)[NH3+]
Canonical SMILES	CACTVS	3.385	[NH3+][C@H]1C[C@H](O)[C@@H](O)[C@@H]1CO
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1[C@@H]([C@H]([C@@H]([C@H]1O)O)CO)[NH3+]
InChI	InChI	1.03	InChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/p+1/t3-,4+,5+,6+/m1/s1
InChIKey	InChI	1.03	XJKPQBOZNVQXOP-VANKVMQKSA-O

Related Resource References

Resource Name	Reference
PubChem	145946075

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