S8U
Summary
| Name: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-pyrrole-2-carbaldehyde |
| Formula: | C10 H14 N O7 P |
| Formal charge: | 0 |
| Formula weight: | 291.194 Da |
| Component type: | DNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-pyrrole-2-carbaldehyde |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S},5~{R})-5-(2-methanoylpyrrol-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC1OC(CC1O)n1cccc1C=O |
| InChI | InChI | 1.06 | InChI=1S/C10H14NO7P/c12-5-7-2-1-3-11(7)10-4-8(13)9(18-10)6-17-19(14,15)16/h1-3,5,8-10,13H,4,6H2,(H2,14,15,16)/t8-,9+,10+/m0/s1 |
| InChIKey | InChI | 1.06 | YMLCJIMQBIRZRA-IVZWLZJFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cccc2C=O |
| SMILES | CACTVS | 3.385 | O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cccc2C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(n(c1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(n(c1)C2CC(C(O2)COP(=O)(O)O)O)C=O |
