RFJ
Summary
| Name: | 2'-O-methyl-5'-O-thiophosphonoguanosine |
| Formula: | C11 H16 N5 O7 P S |
| Formal charge: | 0 |
| Formula weight: | 393.313 Da |
| Component type: | RNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2'-O-methyl-5'-O-thiophosphonoguanosine |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-9-[(2~{R},3~{R},4~{R},5~{R})-5-[bis(oxidanyl)phosphinothioyloxymethyl]-3-methoxy-4-oxidanyl-oxolan-2-yl]-1~{H}-purin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COC3C(n2c1N=C(N)NC(c1nc2)=O)OC(C3O)COP(O)(O)=S |
| InChI | InChI | 1.03 | InChI=1S/C11H16N5O7PS/c1-21-7-6(17)4(2-22-24(19,20)25)23-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H2,19,20,25)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | QUDYZWLGVZGRFN-KQYNXXCUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=S)O[C@H]1n2cnc3C(=O)NC(=Nc23)N |
| SMILES | CACTVS | 3.385 | CO[CH]1[CH](O)[CH](CO[P](O)(O)=S)O[CH]1n2cnc3C(=O)NC(=Nc23)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=S)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC1C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=S)(O)O)O |
