ZGU
Summary
| Name: | (S)-1'-(2',3'-DIHYDROXYPROPYL)-GUANINE |
| Formula: | C8 H12 N5 O6 P |
| Formal charge: | 0 |
| Formula weight: | 305.185 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxypropyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | [(2S)-3-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxy-propyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(O)Cn1c2N=C(NC(=O)c2nc1)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2n(C[C@H](O)CO[P](O)(O)=O)cnc2C(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=Nc2n(C[CH](O)CO[P](O)(O)=O)cnc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1C[C@@H](COP(=O)(O)O)O)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1CC(COP(=O)(O)O)O)N=C(NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H12N5O6P/c9-8-11-6-5(7(15)12-8)10-3-13(6)1-4(14)2-19-20(16,17)18/h3-4,14H,1-2H2,(H2,16,17,18)(H3,9,11,12,15)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | RFPODYUIIQSFDZ-BYPYZUCNSA-N |
