S-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate (CAS 17046-56-9) — formula C41H66N7O17P3S, molecular weight 1054.0; category organic chemicals.
| CAS Number | 17046-56-9 |
|---|---|
| Molecular Formula | C41H66N7O17P3S |
| Molecular Weight | 1054.0 |
| LogP | 0.9 |
| Category | Organic Chemicals |
S-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate is a carbon-based organic compound with CAS registry number 17046-56-9 and molecular formula C41H66N7O17P3S (molecular weight 1054.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 17046-56-9
Its molecular formula C41H66N7O17P3S comprises 41 C, 66 H, 7 N, 17 O, 3 P, 1 S atoms.
Also known as: S-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate · S-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-氨基嘌呤-9-基)-4-羟基-3-膦酰氧基四氢呋喃-2-基]甲氧基-羟基磷酰基]氧基-羟基磷酰基]氧基-2-羟基-3,3-二甲基丁酰基]氨基]丙酰氨基]乙基] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-四烯硫代酸酯
Category: organic chemicals
The CAS registry number of S-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate is 17046-56-9.
Molecular formula C41H66N7O17P3S, molecular weight 1054.0.
It is also registered under: S-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate, S-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-氨基嘌呤-9-基)-4-羟基-3-膦酰氧基四氢呋喃-2-基]甲氧基-羟基磷酰基]氧基-羟基磷酰基]氧基-2-羟基-3,3-二甲基丁酰基]氨基]丙酰氨基]乙基] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-四烯硫代酸酯.
Category: Organic Chemicals.
Independent reference data for S-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate (CAS 17046-56-9), compiled from public chemistry databases.
| CAS 号 | 17046-56-9 |
|---|---|
| PubChem CID | 5497113 |
| 分子式 | C41H66N7O17P3S |
| IUPAC 名称 | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate |
| Molecular Weight | 1054.0 |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 34 |
| Exact Mass | 1053.34487583 |
| Monoisotopic Mass | 1053.34487583 |
| Topological Polar Surface Area | 389 |
| Heavy Atom Count | 69 |
Arachidonoyl-CoA; arachidonyl-coenzyme A; Arachidonoyl CoA; arachidonoyl-coenzyme A; 17046-56-9; Coenzyme A, arachidonyl-; C20:4-CoA; DTXSID201316709; (5Z,8Z,11Z,14Z)-Icosatetraenoyl-CoA; all-cis-5,8,11,14-eicosatetraenoyl-CoA; Coenzyme A, S-5,8,11,14-eicosatetraenoate, (all-Z)-; CHEBI:15514; cis-Delta(5,8,11,14)-eicosatetraenoyl-CoA; all-cis-5,8,11,14-eicosatetraenoyl-coenzyme A; cis-Delta(5,8,11,14)-eicosatetraenoyl-coenzyme A; (5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoyl-CoA
S-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-氨基嘌呤-9-基)-4-羟基-3-膦酰氧基四氢呋喃-2-基]甲氧基-羟基磷酰基]氧基-羟基磷酰基]氧基-2-羟基-3,3-二甲基丁酰基]氨基]丙酰氨基]乙基] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-四烯硫代酸酯 · CAS 17046-56-9 · C41H66N7O17P3S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.