F8F
(2S,5S)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid
| Created: | 2020-04-14 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 24 |
| Chiral Atom Count | 5 |
| Bond Count | 24 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | (2S,5S)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid |
| Systematic Name (OpenEye OEToolkits) | (2~{S},5~{S})-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid |
| Formula | C6 H11 N O6 |
| Molecular Weight | 193.155 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1(C(C(C(OC1O)C(=O)O)O)O)N |
| Canonical SMILES | CACTVS | 3.385 | N[C@@H]1[C@@H](O)O[C@@H]([C@H](O)[C@H]1O)C(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | [C@@H]1(C(C([C@H](OC1O)C(=O)O)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | CRIPFXSBMSGPKB-WAXACMCWSA-N |














