| SpectraBase Spectrum ID |
6z072b7jMtW |
| Name |
(E)-N(9)-(3,4-bis(diethylphosphono)-2-buten-1-yl)adenine |
| CAS Registry Number |
139347-53-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H29N5O6P2 |
| InChI |
InChI=1S/C17H29N5O6P2/c1-5-25-29(23,26-6-2)11-14(30(24,27-7-3)28-8-4)9-10-22-13-21-15-16(18)19-12-20-17(15)22/h9,12-13H,5-8,10-11H2,1-4H3,(H2,18,19,20)/b14-9+ |
| InChIKey |
DSVKOHKSUCQSND-NTEUORMPSA-N |
| Molecular Weight |
461.396 g/mol |
| SMILES |
Nc1c2nc[n](c2ncn1)C\C=C/(P(=O)(OCC)OCC)CP(=O)(OCC)OCC |
| SPLASH |
splash10-00di-0209200000-38b4864b5c2daae7f8f2 |
| Source of Spectrum |
J-57-2326-25 |
| Synonyms |
Diethyl (2E)-4-(6-amino-9H-purin-9-yl)-2-(diethoxyphosphoryl)-2-butenylphosphonate |
| Wiley ID |
1390729 |
