291
Summary
| Name: | prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside |
| Synonyms: | prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptoside prop-2-en-1-yl 7-O-carbamoyl-L-glycero-D-manno-heptoside; prop-2-en-1-yl 7-O-carbamoyl-L-glycero-manno-heptoside |
| Formula: | C11 H19 N O8 |
| Formal charge: | 0 |
| Formula weight: | 293.27 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside |
| OpenEye OEToolkits | 1.5.0 | [(2S)-2-hydroxy-2-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-prop-2-enoxy-oxan-2-yl]ethyl] carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OCC(O)C1OC(OC/C=C)C(O)C(O)C1O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)OC[C@H](O)[C@H]1O[C@H](OCC=C)[C@@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | NC(=O)OC[CH](O)[CH]1O[CH](OCC=C)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C=CCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](COC(=O)N)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C=CCOC1C(C(C(C(O1)C(COC(=O)N)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H19NO8/c1-2-3-18-10-8(16)6(14)7(15)9(20-10)5(13)4-19-11(12)17/h2,5-10,13-16H,1,3-4H2,(H2,12,17)/t5-,6-,7-,8-,9+,10-/m0/s1 |
| InChIKey | InChI | 1.03 | JSAVYXHOFSIYSH-UCKHGQTESA-N |
