F4H
Summary
| Name: | 1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-mannitol |
| Formula: | C11 H16 F N2 O8 P |
| Formal charge: | 0 |
| Formula weight: | 354.226 Da |
| Component type: | DNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-mannitol |
| OpenEye OEToolkits | 1.7.2 | [(2R,3R,4R,5R)-4-fluoranyl-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC2OCC(N1C(=O)NC(=O)C(=C1)C)C(F)C2O |
| InChI | InChI | 1.03 | InChI=1S/C11H16FN2O8P/c1-5-2-14(11(17)13-10(5)16)6-3-21-7(9(15)8(6)12)4-22-23(18,19)20/h2,6-9,15H,3-4H2,1H3,(H,13,16,17)(H2,18,19,20)/t6-,7-,8-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | RHZOVKWYBYFNDA-FNCVBFRFSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC1=CN([C@@H]2CO[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]2F)C(=O)NC1=O |
| SMILES | CACTVS | 3.370 | CC1=CN([CH]2CO[CH](CO[P](O)(O)=O)[CH](O)[CH]2F)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@@H]2F)O)COP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC1=CN(C(=O)NC1=O)C2COC(C(C2F)O)COP(=O)(O)O |
