Account Adenosine 5′-(trihydrogen diphosphate), 3′-(dihydrogen phosphate), P′-[(3R)-4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] ester
- Catalog No. :
- ACIBRH498
- CAS No. :
- 5863-40-1
- Molecular Formula :
- C21H36N7O16P3
- Molecular Weight :
- 735.47
IUPAC Name:Adenosine 5′-(trihydrogen diphosphate), 3′-(dihydrogen phosphate), P′-[(3R)-4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] ester
![Adenosine 5′-(trihydrogen diphosphate), 3′-(dihydrogen phosphate), P′-[(3R)-4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] ester structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Adenosine 5′-(trihydrogen diphosphate), 3′-(dihydrogen phosphate), P′-[(3R)-4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] ester |
|---|---|
| IUPAC Name | Adenosine 5′-(trihydrogen diphosphate), 3′-(dihydrogen phosphate), P′-[(3R)-4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] ester |
| Molecular Formula | C21H36N7O16P3 |
| Molecular Weight | 735.47 |
| SMILES | CCNC(CCNC([C@H](O)C(C)(C)COP(O)(OP(O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C23)[C@H](O)[C@@H]1OP(O)(O)=O)=O)=O)=O)=O |
| InChI Key | ILWZMFJBPIYQKW-IBOSZNHHSA-N |
| Synonym | desulfo-coenzymea;desulfocoenzyme A, lithium salt;Dethiocoenzyme A;Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[(3R)-4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] ester;Dethia-CoA |
| CAS No. | 5863-40-1 |
Synthetic Route by SureRoute
2. ACIBRH498 Molecular Building Block Synthetic Route
Coenzyme A trilithium salt
(((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-(((hydroxy((hydroxy((R)-3-hydroxy-2,2-dimethyl-3-((2-((2-sulfanylethyl)carbamoyl)ethyl)carbamoyl)propoxy)phosphoryl)oxy)phosphoryl)oxy)methyl)oxolan-3-yl)oxy)phosphonic acid
COenzyme A sodium salt