Summary
Name: | 8-METHYL-2'-DEOXYGUANOSINE 3'-MONOPHOSPHATE |
Formula: | C11 H16 N5 O7 P |
Formal charge: | 0 |
Formula weight: | 361.248 Da |
Component type: | DNA LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 2'-deoxy-8-methylguanosine 5'-(dihydrogen phosphate) |
OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-5-(2-amino-8-methyl-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1c2nc(n(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O)C |
InChI | InChI | 1.02b | InChI=1/C11H16N5O7P/c1-4-13-8-9(14-11(12)15-10(8)18)16(4)7-2-5(17)6(23-7)3-22-24(19,20)21/h5-7,17H,2-3H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t5-,6+,7+/m0/s1/f/h15,19-20H,12H2 |
InChIKey | InChI | 1.02b | MKPWVGWAKMPLFJ-PTCOHVBVDG |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1nc2C(=O)NC(=Nc2n1[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)N |
SMILES | CACTVS | 3.341 | Cc1nc2C(=O)NC(=Nc2n1[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)N |