VMO
(2~{R},3~{S},4~{R})-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol
Created: | 2023-07-28 |
Last modified: | 2024-04-10 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 3 |
Bond Count | 23 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (2~{R},3~{S},4~{R})-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol |
Systematic Name (OpenEye OEToolkits) | (2~{R},3~{S},4~{R})-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol |
Formula | C6 H13 N O3 |
Molecular Weight | 147.172 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CN1C[CH](O)[CH](O)[CH]1CO |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CC(C(C1CO)O)O |
Canonical SMILES | CACTVS | 3.385 | CN1C[C@@H](O)[C@@H](O)[C@H]1CO |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CN1C[C@H]([C@H]([C@H]1CO)O)O |
InChI | InChI | 1.06 | InChI=1S/C6H13NO3/c1-7-2-5(9)6(10)4(7)3-8/h4-6,8-10H,2-3H2,1H3/t4-,5-,6+/m1/s1 |
InChIKey | InChI | 1.06 | UBVOJPDDTVFNFJ-PBXRRBTRSA-N |