S7P
Summary
| Name: | 1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose |
| Synonyms: | 1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrose 1-C-(hydroxymethyl)-6-O-phosphono-D-altrose; 1-C-(hydroxymethyl)-6-O-phosphono-altrose |
| Formula: | C7 H15 O10 P |
| Formal charge: | 0 |
| Formula weight: | 290.162 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose |
| OpenEye OEToolkits | 1.7.6 | [(2R)-2-[(2R,3S,4S,5R)-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC(O)C1OC(O)(CO)C(O)C1O |
| InChI | InChI | 1.03 | InChI=1S/C7H15O10P/c8-2-7(12)6(11)4(10)5(17-7)3(9)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5-,6+,7-/m1/s1 |
| InChIKey | InChI | 1.03 | RKCHIPUTSFLEHR-BNWJMWRWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@]1(O)O[C@H]([C@H](O)CO[P](O)(O)=O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[C]1(O)O[CH]([CH](O)CO[P](O)(O)=O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C(C1C(C(C(O1)(CO)O)O)O)O)OP(=O)(O)O |
