trilithium,[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate,dihydrate
Modify Date: 2025-08-30 18:41:13
![trilithium,[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate,dihydrate Structure](https://image.chemsrc.com/caspic/409/102778-59-6.png)
trilithium,[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate,dihydrate structure
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Common Name | trilithium,[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate,dihydrate | ||
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| CAS Number | 102778-59-6 | Molecular Weight | 821.36400 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C21H37Li3N7O18P3S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | trilithium,[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate,dihydrate |
|---|---|
| Synonym | More Synonyms |
| Molecular Formula | C21H37Li3N7O18P3S |
|---|---|
| Molecular Weight | 821.36400 |
| Exact Mass | 821.16100 |
| PSA | 441.74000 |
| LogP | 0.88370 |
| InChIKey | VYMAJVUGLWJGOO-JVQAMNNVSA-K |
| SMILES | CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])O)C(O)C(=O)NCCC(=O)NCCS.O.O.[Li+].[Li+].[Li+] |
| Safety Phrases | 22-24/25 |
|---|---|
| WGK Germany | 1 |
| coenzyme a trilithium salt dihydrate |