Account CDN-A
- Catalog No. :
- ACSHHL698
- CAS No. :
- 2586047-09-6
- Molecular Formula :
- C22H29N11O12P2
- Molecular Weight :
- 701.49
IUPAC Name:2-amino-9-((5S,7R,8R,12aR,14R,15R,15aS)-14-(6-amino-9H-purin-9-yl)-16-(2-aminoethyl)-2,10,15-trihydroxy-2,10-dioxidooctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11]pentaoxa[2,10]diphosphacyclotetradecin-7-yl)-3,9-dihydro-6H-purin-6-one
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Product Information
| Product Name | CDN-A |
|---|---|
| IUPAC Name | 2-amino-9-((5S,7R,8R,12aR,14R,15R,15aS)-14-(6-amino-9H-purin-9-yl)-16-(2-aminoethyl)-2,10,15-trihydroxy-2,10-dioxidooctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11]pentaoxa[2,10]diphosphacyclotetradecin-7-yl)-3,9-dihydro-6H-purin-6-one |
| Molecular Formula | C22H29N11O12P2 |
| Molecular Weight | 701.49 |
| SMILES | NCCC1[C@H]2OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3OP(=O)(O)OC[C@H]1O[C@H]2N1C=NC2=C1NC(N)=NC2=O |
| InChI Key | VVKJTFLHLZDCHG-QXBAVTJVSA-N |
| Synonym | 2-amino-9-[(1R,6R,8R,9R,10S,15S,17R)-18-(2-aminoethyl)-8-(6-aminopurin-9-yl)-3,9,12-trihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;CID 176418835 |
| CAS No. | 2586047-09-6 |
Synthetic Route by SureRoute
2. ACSHHL698 Molecular Building Block Synthetic Route
2',3'-cGAMP-C2-SH
2',3'-cGAMP-C2-PPA
Sodium (5R,7R,8R,12aR,14R,15R,15aS,16R)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-dihydroxyoctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11]pentaoxa[2,10]diphosphacyclotetradecine-2,10-bis(olate) 2,10-dioxide