PGN
Summary
Name: | 2'-DEOXYGUANOSINE-3',5'-DIPHOSPHATE |
Formula: | C10 H15 N5 O10 P2 |
Formal charge: | 0 |
Formula weight: | 427.201 Da |
Component type: | DNA LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 2'-deoxyguanosine 3',5'-bis(dihydrogen phosphate) |
OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3)COP(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O[P](O)(O)=O)[C@@H](CO[P](O)(O)=O)O3 |
SMILES | CACTVS | 3.341 | NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O[P](O)(O)=O)[CH](CO[P](O)(O)=O)O3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)N=C(NC2=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O)N=C(NC2=O)N |
InChI | InChI | 1.03 | InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(16)14-10)12-3-15(8)6-1-4(25-27(20,21)22)5(24-6)2-23-26(17,18)19/h3-6H,1-2H2,(H2,17,18,19)(H2,20,21,22)(H3,11,13,14,16)/t4-,5+,6+/m0/s1 |
InChIKey | InChI | 1.03 | HLOADLNVPDIIIB-KVQBGUIXSA-N |