Obsolete: MVP
Summary
| Name: | (1S)-1,5-anhydro-4-O-alpha-D-glucopyranosyl-1-(phosphonomethyl)-D-glucitol |
| Synonyms: | alpha-maltose-c-phosphonate |
| Formula: | C13 H25 O13 P |
| Formal charge: | 0 |
| Formula weight: | 420.304 Da |
| Component type: | saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S)-1,5-anhydro-4-O-alpha-D-glucopyranosyl-1-(phosphonomethyl)-D-glucitol |
| OpenEye OEToolkits | 1.7.6 | [(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | P(O)(O)(CC2C(C(C(OC1C(C(O)C(C(O1)CO)O)O)C(O2)CO)O)O)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H25O13P/c14-1-4-7(16)9(18)11(20)13(25-4)26-12-5(2-15)24-6(3-27(21,22)23)8(17)10(12)19/h4-20H,1-3H2,(H2,21,22,23)/t4-,5-,6-,7-,8+,9+,10-,11-,12-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | LIGBAXRYIYXSON-NVYKSAHZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](C[P](O)(O)=O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](C[P](O)(O)=O)O[CH]2CO)[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[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)CP(=O)(O)O)CO)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)CP(=O)(O)O)CO)O)O)O)O |
