Account IACS-8779 disodium
- Catalog No. :
- ACODXU978
- CAS No. :
- 2243079-27-6
- Molecular Formula :
- C21H23N9Na2O10P2S2
- Molecular Weight :
- 733.53
IUPAC Name:sodium (5R,7R,8R,12aR,14R,15R,15aS,16R)-14-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-7-(6-amino-9H-purin-9-yl)-15,16-dihydroxy-2,10-disulfidooctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11]pentaoxa[2,10]diphosphacyclotetradecin-2-olate 10-oxide
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Product Information
| Product Name | IACS-8779 disodium |
|---|---|
| IUPAC Name | sodium (5R,7R,8R,12aR,14R,15R,15aS,16R)-14-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-7-(6-amino-9H-purin-9-yl)-15,16-dihydroxy-2,10-disulfidooctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11]pentaoxa[2,10]diphosphacyclotetradecin-2-olate 10-oxide |
| Molecular Formula | C21H23N9Na2O10P2S2 |
| Molecular Weight | 733.53 |
| SMILES | NC1=C(N=CN2[C@@H]3O[C@H](CO4)[C@@H](O)[C@H]3OP(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=CC7=C(N=CN=C76)N)O)OP4([S-])=O)([S-])=O)C2=NC=N1.[Na+].[Na+] |
| InChI Key | UCEHPYSYDJNOLZ-UCQYSPAPSA-L |
| Synonym | Adenosine,[P(R)]-5′-[(R)-hydroxymercaptophosphinyl]-Pthio-7-deazaadenylyl-(3′→5′)-,cycliC-(2′→5′)-nucleotide,sodiumsalt(1:2);IACS-8779 disodium |
| CAS No. | 2243079-27-6 |
Synthetic Route by SureRoute
2. ACODXU978 Molecular Building Block Synthetic Route
IACS-8779
(2R,5R,7R,8R,10R,12aR,14R,15R,15aS,16R)-7,14-Bis(6-amino-9H-purin-9-yl)-15,16-dihydroxy-2,10-dimercaptooctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11]pentaoxa[2,10]diphosphacyclotetradecine 2,10-dioxide
(2R,5R,7R,8R,10R,12aR,14R,15R,15aS,16R)-7,14-Bis(6-amino-9H-purin-9-yl)-15,16-dihydroxy-2,10-dimercaptooctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11]pentaoxa[2,10]diphosphacyclotetradecine 2,10-dioxide disodium salt