10C
Summary
| Name: | 4-AMINO-1-{2,5-ANHYDRO-4-[(PHOSPHONOOXY)METHYL]-ALPHA-L-LYXOFURANOSYL}PYRIMIDIN-2(1H)-ONE |
| Formula: | C10 H14 N3 O8 P |
| Formal charge: | 0 |
| Formula weight: | 335.207 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-amino-1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}pyrimidin-2(1H)-one |
| OpenEye OEToolkits | 1.5.0 | [(1R,4R,5R,7S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-7-hydroxy-3,6-dioxabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N=C(N)C=CN1C3OC2(C(O)C3OC2)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=NC(=O)N(C=C1)[C@@H]2O[C@]3(CO[C@@H]2[C@@H]3O)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | NC1=NC(=O)N(C=C1)[CH]2O[C]3(CO[CH]2[CH]3O)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=NC3=O)N)O)COP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C2(C(C(O1)C(O2)N3C=CC(=NC3=O)N)O)COP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H14N3O8P/c11-5-1-2-13(9(15)12-5)8-6-7(14)10(21-8,3-19-6)4-20-22(16,17)18/h1-2,6-8,14H,3-4H2,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | QSWJTQANHZXJPG-IBCQBUCCSA-N |
