FGS
Summary
| Name: | 5-(ACETYLAMINO)-5-DEOXY-1-O-PHOSPHONO-L-IDITOL |
| Formula: | C8 H18 N O9 P |
| Formal charge: | 0 |
| Formula weight: | 303.204 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-(acetylamino)-5-deoxy-1-O-phosphono-L-iditol |
| OpenEye OEToolkits | 1.6.1 | [(2S,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxy-hexyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(O)C(O)C(O)C(NC(=O)C)CO |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(=O)N[C@@H](CO)[C@@H](O)[C@H](O)[C@@H](O)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.352 | CC(=O)N[CH](CO)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(=O)N[C@@H](CO)[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(=O)NC(CO)C(C(C(COP(=O)(O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H18NO9P/c1-4(11)9-5(2-10)7(13)8(14)6(12)3-18-19(15,16)17/h5-8,10,12-14H,2-3H2,1H3,(H,9,11)(H2,15,16,17)/t5-,6-,7+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | WHHOIWRDVIBHSP-RULNZFCNSA-N |
