HTM
Summary
| Name: | 3-hydroxypropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid |
| Synonyms: | 6-(3-HYDROXYPROPOXY)-5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-4H-PYRAN-2-CARBOXYLIC ACID 3-HYDROXYPROPYL ETHER MIMETIC; 3-hydroxypropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enosiduronic acid; 3-hydroxypropyl 2-acetamido-2,4-dideoxy-L-threo-hex-4-enosiduronic acid; 3-hydroxypropyl 2-acetamido-2,4-dideoxy-threo-hex-4-enosiduronic acid |
| Formula: | C11 H17 N O7 |
| Formal charge: | 0 |
| Formula weight: | 275.255 Da |
| Component type: | L-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-hydroxypropyl 2-(acetylamino)-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{S})-3-acetamido-4-oxidanyl-2-(3-oxidanylpropoxy)-3,4-dihydro-2~{H}-pyran-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C1=CC(C(C(O1)OCCCO)NC(C)=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H17NO7/c1-6(14)12-9-7(15)5-8(10(16)17)19-11(9)18-4-2-3-13/h5,7,9,11,13,15H,2-4H2,1H3,(H,12,14)(H,16,17)/t7-,9+,11+/m0/s1 |
| InChIKey | InChI | 1.03 | MLEYNFMNPJIWGP-JVUFJMBOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1OCCCO)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]1[CH](O)C=C(O[CH]1OCCCO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1OCCCO)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1C(C=C(OC1OCCCO)C(=O)O)O |
