UI5

(1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol

Created:2023-09-05
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count4
Bond Count23
Aromatic Bond Count0
2D diagram of UI5

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Chemical Component Summary

Name(1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol
Systematic Name (OpenEye OEToolkits)(1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol
FormulaC6 H13 N O3
Molecular Weight147.172
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385N[CH]1C[CH](O)[CH](O)[CH]1CO
SMILESOpenEye OEToolkits2.0.7C1C(C(C(C1O)O)CO)N
Canonical SMILESCACTVS3.385 N[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1CO
Canonical SMILESOpenEye OEToolkits2.0.7 C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO)N
InChIInChI1.06 InChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/t3-,4-,5+,6+/m1/s1
InChIKeyInChI1.06 XJKPQBOZNVQXOP-ZXXMMSQZSA-N

Related Resource References

Resource NameReference
PubChem 169491027