V71
Summary
| Name: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranoside |
| Synonyms: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactoside (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-D-galactoside; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-galactoside |
| Formula: | C12 H25 F N4 O5 |
| Formal charge: | 0 |
| Formula weight: | 324.349 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranoside |
| OpenEye OEToolkits | 1.9.2 | (1S,2R,3R,4S,6R)-3-[(2S,3R,4R,5R,6R)-6-(aminomethyl)-3-azanyl-5-fluoranyl-4-oxidanyl-oxan-2-yl]oxy-4,6-bis(azanyl)cyclo hexane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C(C(O)C(C(CN)O1)F)N)OC2C(C(O)C(N)CC2N)O |
| InChI | InChI | 1.03 | InChI=1S/C12H25FN4O5/c13-6-5(2-14)21-12(7(17)9(6)19)22-11-4(16)1-3(15)8(18)10(11)20/h3-12,18-20H,1-2,14-17H2/t3-,4+,5-,6+,7-,8+,9+,10-,11-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | CRXNRBKQEXVRGM-RMDUJVAESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@H]1F |
| SMILES | CACTVS | 3.385 | NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O)[CH]2O)[CH](N)[CH](O)[CH]1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CN)F)O)N)O)O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)F)O)N)O)O)N |
