ADI
Summary
Name: | 2',3'-DIDEOXYADENOSINE-5'-DIPHOSPHATE |
Formula: | C10 H15 N5 O8 P2 |
Formal charge: | 0 |
Formula weight: | 395.202 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | [(2S,5R)-5-(6-amino-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl trihydrogen diphosphate |
OpenEye OEToolkits | 1.5.0 | [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3 |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1ncnc2n(cnc12)[C@H]3CC[C@@H](CO[P@](O)(=O)O[P](O)(O)=O)O3 |
SMILES | CACTVS | 3.341 | Nc1ncnc2n(cnc12)[CH]3CC[CH](CO[P](O)(=O)O[P](O)(O)=O)O3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)C3CCC(O3)COP(=O)(O)OP(=O)(O)O)N |
InChI | InChI | 1.03 | InChI=1S/C10H15N5O8P2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(22-7)3-21-25(19,20)23-24(16,17)18/h4-7H,1-3H2,(H,19,20)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1 |
InChIKey | InChI | 1.03 | QYFSANXOEHYVFG-NKWVEPMBSA-N |