[5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-butanoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid (CAS 2140-48-9) — formula C25H42N7O17P3S, molecular weight 837.6; category organic chemicals.
| CAS Number | 2140-48-9 |
|---|---|
| Molecular Formula | C25H42N7O17P3S |
| Molecular Weight | 837.6 |
| LogP | -4.8 |
| Category | Organic Chemicals |
[5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-butanoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid is a carbon-based organic compound with CAS registry number 2140-48-9 and molecular formula C25H42N7O17P3S (molecular weight 837.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2140-48-9
Its molecular formula C25H42N7O17P3S comprises 25 C, 42 H, 7 N, 17 O, 3 P, 1 S atoms.
Also known as: [5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-butanoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid · [5-(6-氨基嘌呤-9-基)-2-[[[[3-[2-(2-丁酰基硫烷基乙基氨基甲酰基)乙基氨基甲酰基]-3-羟基-2,2-二甲基-丙氧基]-羟基-磷酰基]氧基-羟基-磷酰基]氧基甲基]-4-羟基-氧杂环戊烷-3-基]氧基膦酸
Category: organic chemicals
The CAS registry number of [5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-butanoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid is 2140-48-9.
Molecular formula C25H42N7O17P3S, molecular weight 837.6.
It is also registered under: [5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-butanoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid, [5-(6-氨基嘌呤-9-基)-2-[[[[3-[2-(2-丁酰基硫烷基乙基氨基甲酰基)乙基氨基甲酰基]-3-羟基-2,2-二甲基-丙氧基]-羟基-磷酰基]氧基-羟基-磷酰基]氧基甲基]-4-羟基-氧杂环戊烷-3-基]氧基膦酸.
Category: Organic Chemicals.
Independent reference data for [5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-butanoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid (CAS 2140-48-9), compiled from public chemistry databases.
| CAS 号 | 2140-48-9 |
|---|---|
| PubChem CID | 265 |
| 分子式 | C25H42N7O17P3S |
| IUPAC 名称 | S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] butanethioate |
| UNII（FDA） | NS00014819 |
| Molecular Weight | 837.6 |
|---|---|
| XLogP3 | -4.8 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 22 |
| Exact Mass | 837.15707506 |
| Monoisotopic Mass | 837.15707506 |
| Topological Polar Surface Area | 389 |
| Heavy Atom Count | 53 |
DTXSID70862839; RefChem:1098207; DTXCID80811555; Butyryl Coenzyme A, Free acid; orb2817015; SCHEMBL4367366; MFCD07777017; NS00014819; C300017; Q42412398
[5-(6-氨基嘌呤-9-基)-2-[[[[3-[2-(2-丁酰基硫烷基乙基氨基甲酰基)乙基氨基甲酰基]-3-羟基-2,2-二甲基-丙氧基]-羟基-磷酰基]氧基-羟基-磷酰基]氧基甲基]-4-羟基-氧杂环戊烷-3-基]氧基膦酸 · CAS 2140-48-9 · C25H42N7O17P3S. UNII NS00014819.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.