PH5
Summary
| Name: | benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid |
| Synonyms: | 2-PHENYL-PROP5AC benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulosidonic acid; benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-D-galacto-non-2-ulosidonic acid; benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-galacto-non-2-ulosidonic acid |
| Formula: | C19 H27 N O9 |
| Formal charge: | 0 |
| Formula weight: | 413.419 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid |
| OpenEye OEToolkits | 1.5.0 | (2R,4S,5R,6R)-4-hydroxy-2-phenylmethoxy-5-(propanoylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C2(OCc1ccccc1)OC(C(O)C(O)CO)C(NC(=O)CC)C(O)C2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |
| SMILES | CACTVS | 3.341 | CCC(=O)N[CH]1[CH](O)C[C](OCc2ccccc2)(O[CH]1[CH](O)[CH](O)CO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCc2ccccc2)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCc2ccccc2)O |
| InChI | InChI | 1.03 | InChI=1S/C19H27NO9/c1-2-14(24)20-15-12(22)8-19(18(26)27,28-10-11-6-4-3-5-7-11)29-17(15)16(25)13(23)9-21/h3-7,12-13,15-17,21-23,25H,2,8-10H2,1H3,(H,20,24)(H,26,27)/t12-,13+,15+,16+,17+,19+/m0/s1 |
| InChIKey | InChI | 1.03 | XDURJXFZCXMSHL-YZKZVDITSA-N |
