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 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 4 |
Bond Count | 23 |
Aromatic Bond Count | 0 |
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 |
Formula | C6 H13 N O3 |
Molecular Weight | 147.172 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | N[CH]1C[CH](O)[CH](O)[CH]1CO |
SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(C1O)O)CO)N |
Canonical SMILES | CACTVS | 3.385 | N[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)N |
InChI | InChI | 1.06 | 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 |
InChIKey | InChI | 1.06 | XJKPQBOZNVQXOP-ZXXMMSQZSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 169491027 |