64P
Summary
| Name: | 5-aminothymidine 5'-(dihydrogen phosphate) |
| Formula: | C10 H18 N3 O8 P |
| Formal charge: | 0 |
| Formula weight: | 339.239 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-aminothymidine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.6.1 | [(2R,3S,5R)-5-[(5R)-5-amino-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N(CC(C(=O)N1)(N)C)C2OC(C(O)C2)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.352 | C[C@@]1(N)CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O |
| SMILES | CACTVS | 3.352 | C[C]1(N)CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC1(CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H18N3O8P/c1-10(11)4-13(9(16)12-8(10)15)7-2-5(14)6(21-7)3-20-22(17,18)19/h5-7,14H,2-4,11H2,1H3,(H,12,15,16)(H2,17,18,19)/t5-,6+,7+,10+/m0/s1 |
| InChIKey | InChI | 1.03 | ZCRHNITTYCCJRU-MPXCPUAZSA-N |
