1-Bromo-4-((9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-6-yl)thio) -2,3-butanedione (CAS 90269-31-1) — formula C14H16BrN4O9PS, molecular weight 527.24; category organic chemicals.
| CAS Number | 90269-31-1 |
|---|---|
| Molecular Formula | C14H16BrN4O9PS |
| Molecular Weight | 527.24 |
| LogP | -2.1 |
| Category | Organic Chemicals |
1-Bromo-4-((9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-6-yl)thio) -2,3-butanedione is a carbon-based organic compound with CAS registry number 90269-31-1 and molecular formula C14H16BrN4O9PS (molecular weight 527.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 90269-31-1
Its molecular formula C14H16BrN4O9PS comprises 14 C, 16 H, 1 Br, 4 N, 9 O, 1 P, 1 S atoms.
Also known as: 1-Bromo-4-((9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-6-yl)thio) -2,3-butanedione · 1-溴-4-((9-(5-O-膦酰基-β-D-呋喃核糖基)-9H-嘌呤-6-基)硫基)-2,3-丁二酮
Category: organic chemicals
The CAS registry number of 1-Bromo-4-((9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-6-yl)thio) -2,3-butanedione is 90269-31-1.
Molecular formula C14H16BrN4O9PS, molecular weight 527.24.
It is also registered under: 1-Bromo-4-((9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-6-yl)thio) -2,3-butanedione, 1-溴-4-((9-(5-O-膦酰基-β-D-呋喃核糖基)-9H-嘌呤-6-基)硫基)-2,3-丁二酮.
Category: Organic Chemicals.
Independent reference data for 1-Bromo-4-((9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-6-yl)thio) -2,3-butanedione (CAS 90269-31-1), compiled from public chemistry databases.
| CAS 号 | 90269-31-1 |
|---|---|
| PubChem CID | 146144 |
| 分子式 | C14H16BrN4O9PS |
| IUPAC 名称 | [(2R,3S,4R,5S)-5-[6-(4-bromo-2,3-dioxobutyl)sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate |
| Molecular Weight | 527.24 |
|---|---|
| XLogP3 | -2.1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 9 |
| Exact Mass | 525.95590 |
| Monoisotopic Mass | 525.95590 |
| Topological Polar Surface Area | 219 |
| Heavy Atom Count | 30 |
Bdb-tamp; 6-(6-(4-Bromo-2,3-dioxobutyl)thio)deaminoadenosine 5'-monophosphate; 90269-31-1; DTXSID50238073; RefChem:104058; DTXCID70160564; 5'-Inosinic acid, 6-S-(4-bromo-2,3-dioxobutyl)-6-thio-; 1-Bromo-4-((9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-6-yl)thio)-2,3-butanedione; 1-Bromo-4-((9-(5-O-phosphono-beta-D-tribofuranosyl)-9H-purin-6-yl)thio)-2,3-butanedione; 2,3-Butanedione, 1-bromo-4-((9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-6-yl)thio)-; 6-[(4-Bromo-2,3-dioxobutyl)sulfanyl]-9-(5-O-phosphono-alpha-D-ribofuranosyl)-9H-purine; 2,3-Butanedione, 1-bromo-4-((9-(5-O-phosphono-beta-D-tribofuranosyl)-9H-purin-6-yl)thio)-
1-溴-4-((9-(5-O-膦酰基-β-D-呋喃核糖基)-9H-嘌呤-6-基)硫基)-2,3-丁二酮 · CAS 90269-31-1 · C14H16BrN4O9PS.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.