1S3
Summary
| Name: | (2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)tetrahydro-3aH-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide |
| Synonyms: | Glucose1,2cyclic phosphate |
| Formula: | C6 H11 O8 P |
| Formal charge: | 0 |
| Formula weight: | 242.121 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)tetrahydro-3aH-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide |
| OpenEye OEToolkits | 1.7.6 | (3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)-2-oxidanyl-2-oxidanylidene-5,6,7,7a-tetrahydro-3aH-[1,3,2]dioxaphospholo[4,5-b]pyr an-6,7-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P1(OC2C(O)C(O)C(OC2O1)CO)O |
| InChI | InChI | 1.03 | InChI=1S/C6H11O8P/c7-1-2-3(8)4(9)5-6(12-2)14-15(10,11)13-5/h2-9H,1H2,(H,10,11)/t2-,3-,4+,5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | PUJJEEQZLDDQPG-VFUOTHLCSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1O[C@@H]2O[P](O)(=O)O[C@@H]2[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | OC[CH]1O[CH]2O[P](O)(=O)O[CH]2[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OP(=O)(O2)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C1C(C(C2C(O1)OP(=O)(O2)O)O)O)O |
