Obsolete: U2N
Summary
Name: | 2'-AMINO-2'-DEOXYURIDINE 5'-(DIHYDROGEN PHOSPHATE) |
Formula: | C9 H14 N3 O8 P |
Formal charge: | 0 |
Formula weight: | 323.197 Da |
Component type: | DNA LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 2'-amino-2'-deoxyuridine 5'-(dihydrogen phosphate) |
OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(N)C2O |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=CC(=O)NC2=O |
SMILES | CACTVS | 3.341 | N[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)N |
InChI | InChI | 1.03 | InChI=1S/C9H14N3O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3,10H2,(H,11,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 |
InChIKey | InChI | 1.03 | OWNKJJAVEHMKCW-XVFCMESISA-N |