[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-[2-[(E)-dec-2-enoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid (CAS 10018-95-8) — formula C31H52N7O17P3S, molecular weight 919.8; category organic chemicals.
| CAS Number | 10018-95-8 |
|---|---|
| Molecular Formula | C31H52N7O17P3S |
| Molecular Weight | 919.8 |
| LogP | -0.381 |
| Category | Organic Chemicals |
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-[2-[(E)-dec-2-enoyl]sulfanylethylcarbamoyl]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 10018-95-8 and molecular formula C31H52N7O17P3S (molecular weight 919.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 10018-95-8
Its molecular formula C31H52N7O17P3S comprises 31 C, 52 H, 7 N, 17 O, 3 P, 1 S atoms.
Also known as: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-[2-[(E)-dec-2-enoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid · 2-反-癸烯基辅酶A
Category: organic chemicals
The CAS registry number of [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-[2-[(E)-dec-2-enoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid is 10018-95-8.
Molecular formula C31H52N7O17P3S, molecular weight 919.8.
It is also registered under: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-[2-[(E)-dec-2-enoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid, 2-反-癸烯基辅酶A.
Category: Organic Chemicals.
Independent reference data for [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-[2-[(E)-dec-2-enoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid (CAS 10018-95-8), compiled from public chemistry databases.
| CAS 号 | 10018-95-8 |
|---|---|
| PubChem CID | 5280768 |
| 分子式 | C31H52N7O17P3S |
| IUPAC 名称 | S-[2-[3-[[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] (E)-dec-2-enethioate |
| Molecular Weight | 919.8 |
|---|---|
| XLogP3 | -1.7 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 27 |
| Exact Mass | 919.23532538 |
| Monoisotopic Mass | 919.23532538 |
| Topological Polar Surface Area | 389 |
| Heavy Atom Count | 59 |
| LogP | -0.381 |
|---|
trans-2-Decenoylcoenzyme A; 2-trans-Decenoyl-CoA; (E)-S-2-decenoate; S-(2E)-2-decenoate; (E)-S-2-decenoic acid; (E)-S-2-decenoate CoA; trans-D2,3-Decenoyl-CoA; S-(2E)-2-decenoic acid; S-(2E)-2-decenoate CoA; (E)-S-2-decenoate Coenzyme A; trans-D2,3-Decenoyl-Coenzyme A; S-(2E)-2-decenoate Coenzyme A; [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-[2-[(E)-dec-2-enoyl]sulfanylethylcarbamoyl]ethylcarb
2-反-癸烯基辅酶A · CAS 10018-95-8 · C31H52N7O17P3S. LogP: -0.381.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-反-癸烯基辅酶A