RZM
Summary
| Name: | (2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-D-glucopyranoside |
| Synonyms: | (2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-D-glucoside (2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl D-glucoside; (2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl glucoside |
| Formula: | C12 H23 N O9 |
| Formal charge: | 0 |
| Formula weight: | 325.312 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-D-glucopyranoside |
| OpenEye OEToolkits | 1.9.2 | (2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-4-oxidanyl-pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-tr iol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(C1C(O)C(NC1CO)CO)C2OC(C(O)C(O)C2O)CO |
| InChI | InChI | 1.03 | InChI=1S/C12H23NO9/c14-1-4-7(17)11(5(2-15)13-4)22-12-10(20)9(19)8(18)6(3-16)21-12/h4-20H,1-3H2/t4-,5-,6-,7-,8-,9+,10-,11-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | AZDBETUGBOOBRU-BBFNFCGLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1N[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1N[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(C1C(C(C(N1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O |
