2-((4-bromo-2,3-dioxobutyl)thio)-1,N(6)-ethenoadenosine 2',5'-bisphosphate (CAS 98088-69-8) — formula C16H18BrN5O12P2S, molecular weight 646.3; category organic chemicals.
| CAS Number | 98088-69-8 |
|---|---|
| Molecular Formula | C16H18BrN5O12P2S |
| Molecular Weight | 646.3 |
| LogP | -2.4 |
| Category | Organic Chemicals |
2-((4-bromo-2,3-dioxobutyl)thio)-1,N(6)-ethenoadenosine 2',5'-bisphosphate is a carbon-based organic compound with CAS registry number 98088-69-8 and molecular formula C16H18BrN5O12P2S (molecular weight 646.3), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 98088-69-8
Its molecular formula C16H18BrN5O12P2S comprises 16 C, 18 H, 1 Br, 5 N, 12 O, 2 P, 1 S atoms.
Also known as: 2-((4-bromo-2,3-dioxobutyl)thio)-1,N(6)-ethenoadenosine 2',5'-bisphosphate · 2-((4-溴-2,3-二氧丁基)硫基)-1,N(6)-乙烯基腺苷2',5'-二磷酸
Category: organic chemicals
The CAS registry number of 2-((4-bromo-2,3-dioxobutyl)thio)-1,N(6)-ethenoadenosine 2',5'-bisphosphate is 98088-69-8.
Molecular formula C16H18BrN5O12P2S, molecular weight 646.3.
It is also registered under: 2-((4-bromo-2,3-dioxobutyl)thio)-1,N(6)-ethenoadenosine 2',5'-bisphosphate, 2-((4-溴-2,3-二氧丁基)硫基)-1,N(6)-乙烯基腺苷2',5'-二磷酸.
Category: Organic Chemicals.
Independent reference data for 2-((4-bromo-2,3-dioxobutyl)thio)-1,N(6)-ethenoadenosine 2',5'-bisphosphate (CAS 98088-69-8), compiled from public chemistry databases.
| CAS 号 | 98088-69-8 |
|---|---|
| PubChem CID | 3035787 |
| 分子式 | C16H18BrN5O12P2S |
| IUPAC 名称 | [(2R,3R,4R,5R)-2-[5-(4-bromo-2,3-dioxobutyl)sulfanylimidazo[2,1-f]purin-3-yl]-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate |
| Molecular Weight | 646.3 |
|---|---|
| XLogP3 | -2.4 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 11 |
| Exact Mass | 644.93313 |
| Monoisotopic Mass | 644.93313 |
| Topological Polar Surface Area | 270 |
| Heavy Atom Count | 37 |
Bdb-T-epsilon-ADP; 2-((4-Bromo-2,3-dioxobutyl)thio)-1,N(6)-ethenoadenosine 2',5'-bisphosphate; 98088-69-8; DTXSID00243430; RefChem:83719; DTXCID00165921; 2,3-Butanedione, 1-bromo-4-((3-(2,5-di-O-phosphono-beta-D-ribofuranosyl)-3H-imidazo(2,1-i)purin-5-yl)thio)-; 5-[(4-Bromo-2,3-dioxobutyl)sulfanyl]-3-(2,5-di-O-phosphono-beta-D-ribofuranosyl)-3H-imidazo[2,1-i]purine
2-((4-溴-2,3-二氧丁基)硫基)-1,N(6)-乙烯基腺苷2',5'-二磷酸 · CAS 98088-69-8 · C16H18BrN5O12P2S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.