G49
Summary
Name: | N2-METHYL-2'-DEOXY-GUANOSINE-5'-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-N-methylguanosine 5'-(dihydrogen phosphate) |
OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-3-hydroxy-5-(2-methylamino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1c2ncn(c2N=C(NC)N1)C3OC(C(O)C3)COP(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | CNC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3 |
SMILES | CACTVS | 3.341 | CNC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1 |
SMILES | OpenEye OEToolkits | 1.5.0 | CNC1=Nc2c(ncn2C3CC(C(O3)COP(=O)(O)O)O)C(=O)N1 |
InChI | InChI | 1.03 | InChI=1S/C11H16N5O7P/c1-12-11-14-9-8(10(18)15-11)13-4-16(9)7-2-5(17)6(23-7)3-22-24(19,20)21/h4-7,17H,2-3H2,1H3,(H2,19,20,21)(H2,12,14,15,18)/t5-,6+,7+/m0/s1 |
InChIKey | InChI | 1.03 | PDYXRHCXSYUBDG-RRKCRQDMSA-N |