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] (3S)-3-hydroxydecanethioate (CAS 6245-70-1) — formula C31H54N7O18P3S, molecular weight 937.8; category organic chemicals.
| CAS Number | 6245-70-1 |
|---|---|
| Molecular Formula | C31H54N7O18P3S |
| Molecular Weight | 937.8 |
| LogP | -1.219 |
| 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] (3S)-3-hydroxydecanethioate is a carbon-based organic compound with CAS registry number 6245-70-1 and molecular formula C31H54N7O18P3S (molecular weight 937.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6245-70-1
Its molecular formula C31H54N7O18P3S comprises 31 C, 54 H, 7 N, 18 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] (3S)-3-hydroxydecanethioate · 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](3S)-3-羟基癸烷硫酸酯
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] (3S)-3-hydroxydecanethioate is 6245-70-1.
Molecular formula C31H54N7O18P3S, molecular weight 937.8.
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] (3S)-3-hydroxydecanethioate, 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](3S)-3-羟基癸烷硫酸酯.
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] (3S)-3-hydroxydecanethioate (CAS 6245-70-1), compiled from public chemistry databases.
| CAS 号 | 6245-70-1 |
|---|---|
| PubChem CID | 16061159 |
| 分子式 | C31H54N7O18P3S |
| IUPAC 名称 | 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] (3S)-3-hydroxydecanethioate |
| Molecular Weight | 937.8 |
|---|---|
| XLogP3 | -2.9 |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 23 |
| Rotatable Bond Count | 28 |
| Exact Mass | 937.24589007 |
| Monoisotopic Mass | 937.24589007 |
| Topological Polar Surface Area | 409 |
| Heavy Atom Count | 60 |
| LogP | -1.219 |
|---|
3S-hydroxy-decanoyl-CoA; 6245-70-1; S-(3-hydroxydecanoate; S-(3-hydroxydecanoic acid; S-(3-hydroxydecanoate)CoA; b-Hydroxydecanoyl coenzyme A; S-(3-hydroxydecanoate) CoA; 3S-hydroxy-decanoyl-Coenzyme A; SCHEMBL2513997; DL-b-Hydroxydecanoyl coenzyme A; DTXSID30581615; S-(3-hydroxydecanoate)coenzyme A; DL-beta-Hydroxydecanoyl coenzyme A; S-(3-hydroxydecanoate) Coenzyme A
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](3S)-3-羟基癸烷硫酸酯 · CAS 6245-70-1 · C31H54N7O18P3S. LogP: -1.219.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.