Account ((2R,3S,4R,5R)-5-(6-Amino-8-((4-bromo-2,3-dioxobutyl)thio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
- Catalog No. :
- ACQYFO786
- CAS No. :
- 115678-78-9
- Molecular Formula :
- C14H18BrN5O12P2S
- Molecular Weight :
- 622.24
IUPAC Name:((2R,3S,4R,5R)-5-(6-amino-8-((4-bromo-2,3-dioxobutyl)thio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
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Product Information
| Product Name | ((2R,3S,4R,5R)-5-(6-Amino-8-((4-bromo-2,3-dioxobutyl)thio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate |
|---|---|
| IUPAC Name | ((2R,3S,4R,5R)-5-(6-amino-8-((4-bromo-2,3-dioxobutyl)thio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate |
| Molecular Formula | C14H18BrN5O12P2S |
| Molecular Weight | 622.24 |
| SMILES | O=P(O)(OP(O)(OC[C@H]1O[C@@H](N2C(SCC(C(CBr)=O)=O)=NC3=C(N)N=CN=C23)[C@H](O)[C@@H]1O)=O)O |
| InChI Key | XCWZPSOJYVIEHY-QYVSTXNMSA-N |
| Synonym | 8-((4-bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate;Adenosine 5'-(trihydrogen diphosphate), 8-[(4-bromo-2,3-dioxobutyl)thio]- (9CI) |
| CAS No. | 115678-78-9 |
Synthetic Route by SureRoute
2. ACQYFO786 Molecular Building Block Synthetic Route
(((2R,3S,4R,5R)-5-(6-Amino-8-((4-bromo-2,3-dioxobutyl)thio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid
1-((6-Amino-9-((4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-9H-purin-8-yl)thio)-4-bromobutane-2,3-dione
Sodium ((2R,3S,4R,5R)-5-(6-amino-8-(butylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphate