Account IACS-8779
- Catalog No. :
- ACBNFU061
- CAS No. :
- 2243079-26-5
- Molecular Formula :
- C21H25N9O10P2S2
- Molecular Weight :
- 689.57
IUPAC Name:(2R,5R,7R,8R,10R,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-dimercaptooctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11]pentaoxa[2,10]diphosphacyclotetradecine 2,10-dioxide
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Product Information
| Product Name | IACS-8779 |
|---|---|
| IUPAC Name | (2R,5R,7R,8R,10R,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-dimercaptooctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11]pentaoxa[2,10]diphosphacyclotetradecine 2,10-dioxide |
| Molecular Formula | C21H25N9O10P2S2 |
| Molecular Weight | 689.57 |
| SMILES | NC1=C2C=CN([C@@H]3O[C@@H]4CO[P@@](=O)(S)O[C@@H]5[C@H](O)[C@@H](CO[P@@](=O)(S)O[C@H]4[C@H]3O)O[C@H]5N3C=NC4=C(N)N=CN=C43)C2=NC=N1 |
| InChI Key | WLJOSWKSRKSLQV-DWIANQPWSA-N |
| Synonym | IACS-8779;IACS8779,IACS 8779;(1R,3R,6R,8R,9R,10S,12R,15R,17R)-8-{4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-17-(6-amino-9H-purin-9-yl)-9,18-dihydroxy-3,12-disulfanyl-2,4,7,11,13,16-hexaoxa-3λ?,12λ?-diphosphatricyclo[13.2.1.0?,1?]octadecane-3,12-dione |
| CAS No. | 2243079-26-5 |
Synthetic Route by SureRoute
2. ACBNFU061 Molecular Building Block Synthetic Route
IACS-8779 disodium
(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