Obsolete: 6GB
Summary
| Name: | 6-O-(6-O-phosphono-beta-D-glucopyranosyl)-beta-D-glucopyranose |
| Synonyms: | gentiobiose 6-phosphate |
| Formula: | C12 H23 O14 P |
| Formal charge: | 0 |
| Formula weight: | 422.276 Da |
| Component type: | saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-O-(6-O-phosphono-beta-D-glucopyranosyl)-beta-D-glucopyranose |
| OpenEye OEToolkits | 1.7.6 | [(2R,3S,4S,5R,6R)-3,4,5-tris(oxidanyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methoxy]oxan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC2OC(OCC1OC(O)C(O)C(O)C1O)C(O)C(O)C2O |
| InChI | InChI | 1.03 | InChI=1S/C12H23O14P/c13-5-3(25-11(19)9(17)7(5)15)1-23-12-10(18)8(16)6(14)4(26-12)2-24-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | MPJUWDDYGSGMFC-LIZSDCNHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.370 | O[CH]1O[CH](CO[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C1C(C(C(C(O1)O)O)O)O)OC2C(C(C(C(O2)COP(=O)(O)O)O)O)O |
