Account 9,9'-((2R,3R,3aR,7aR,9R,10R,10aR,14aR)-3,10-Difluoro-5,12-dihydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9]tetraoxa[2,8]diphosphacyclododecine-2,9-diyl)bis(2-amino-3,9-dihydro-6H-purin-6-one)
- Catalog No. :
- ACFHCS429
- CAS No. :
- 1334145-18-4
- Molecular Formula :
- C20H22F2N10O12P2
- Molecular Weight :
- 694.40
IUPAC Name:9,9'-((2R,3R,3aR,7aR,9R,10R,10aR,14aR)-3,10-difluoro-5,12-dihydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9]tetraoxa[2,8]diphosphacyclododecine-2,9-diyl)bis(2-amino-3,9-dihydro-6H-purin-6-one)
![9,9'-((2R,3R,3aR,7aR,9R,10R,10aR,14aR)-3,10-Difluoro-5,12-dihydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9]tetraoxa[2,8]diphosphacyclododecine-2,9-diyl)bis(2-amino-3,9-dihydro-6H-purin-6-one) structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 9,9'-((2R,3R,3aR,7aR,9R,10R,10aR,14aR)-3,10-Difluoro-5,12-dihydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9]tetraoxa[2,8]diphosphacyclododecine-2,9-diyl)bis(2-amino-3,9-dihydro-6H-purin-6-one) |
|---|---|
| IUPAC Name | 9,9'-((2R,3R,3aR,7aR,9R,10R,10aR,14aR)-3,10-difluoro-5,12-dihydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9]tetraoxa[2,8]diphosphacyclododecine-2,9-diyl)bis(2-amino-3,9-dihydro-6H-purin-6-one) |
| Molecular Formula | C20H22F2N10O12P2 |
| Molecular Weight | 694.40 |
| SMILES | NC1=NC(=O)C2=C(N1)N([C@@H]1O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](F)[C@H](N5C=NC6=C5NC(N)=NC6=O)O[C@@H]4COP(=O)(O)O[C@H]3[C@H]1F)C=N2 |
| InChI Key | RKBIDRCIXOIYKC-MJIGAOGXSA-N |
| Synonym | c-di-GMP Fluorinated;3'-Guanylic acid, 2'-deoxy-2'-fluoroguanylyl-(3'→5')-2'-deoxy-2'-fluoro-, cyclic nucleotide;2′,,2”,-Di-F-c-didGMP;2'-Fluoro-cyclic-di-guanylate monophoisphate sodium salt |
| CAS No. | 1334145-18-4 |
Synthetic Route by SureRoute
2. ACFHCS429 Molecular Building Block Synthetic Route
((2R,3R,4R,5R)-5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-fluoro-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
Triethylamine ((2R,3R,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-fluoro-3-hydroxytetrahydrofuran-2-yl)methyl phosphate
((2R,3R,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-fluoro-3-hydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate