G36
Summary
Name: | O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE |
Formula: | C12 H18 N5 O7 P |
Formal charge: | 0 |
Formula weight: | 375.274 Da |
Component type: | DNA LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-ethoxy-9H-purin-2-amine |
OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-5-(2-amino-6-ethoxy-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC3OC(n2cnc1c2nc(nc1OCC)N)CC3O |
SMILES_CANONICAL | CACTVS | 3.341 | CCOc1nc(N)nc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3 |
SMILES | CACTVS | 3.341 | CCOc1nc(N)nc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCOc1c2c(nc(n1)N)n(cn2)C3CC(C(O3)COP(=O)(O)O)O |
InChI | InChI | 1.03 | InChI=1S/C12H18N5O7P/c1-2-22-11-9-10(15-12(13)16-11)17(5-14-9)8-3-6(18)7(24-8)4-23-25(19,20)21/h5-8,18H,2-4H2,1H3,(H2,13,15,16)(H2,19,20,21)/t6-,7+,8+/m0/s1 |
InChIKey | InChI | 1.03 | WXGDGPAAUVLZNL-XLPZGREQSA-N |