[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl [[4-[[3-(2-hexadecanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl] phosphate (CAS 62358-02-5) — formula C37H64N7O17P3S, molecular weight 1003.9; category organic chemicals.
| CAS Number | 62358-02-5 |
|---|---|
| Molecular Formula | C37H64N7O17P3S |
| Molecular Weight | 1003.9 |
| LogP | 0.8 |
| Category | Organic Chemicals |
[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl [[4-[[3-(2-hexadecanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl] phosphate is a carbon-based organic compound with CAS registry number 62358-02-5 and molecular formula C37H64N7O17P3S (molecular weight 1003.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 62358-02-5
Its molecular formula C37H64N7O17P3S comprises 37 C, 64 H, 7 N, 17 O, 3 P, 1 S atoms.
Also known as: [5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl [[4-[[3-(2-hexadecanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl] phosphate · [5-(6-氨基嘌呤-9-基)-4-羟基-3-膦酰氧基四氢呋喃-2-基]甲基[[4-[[3-(2-十六烷酰硫基乙基氨基)-3-氧代丙基]氨基]-3-羟基-2,2-二甲基-4-氧代丁氧基]-氧化磷酰基]磷酸
Category: organic chemicals
The CAS registry number of [5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl [[4-[[3-(2-hexadecanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl] phosphate is 62358-02-5.
Molecular formula C37H64N7O17P3S, molecular weight 1003.9.
It is also registered under: [5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl [[4-[[3-(2-hexadecanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl] phosphate, [5-(6-氨基嘌呤-9-基)-4-羟基-3-膦酰氧基四氢呋喃-2-基]甲基[[4-[[3-(2-十六烷酰硫基乙基氨基)-3-氧代丙基]氨基]-3-羟基-2,2-二甲基-4-氧代丁氧基]-氧化磷酰基]磷酸.
Category: Organic Chemicals.
Independent reference data for [5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl [[4-[[3-(2-hexadecanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl] phosphate (CAS 62358-02-5), compiled from public chemistry databases.
| CAS 号 | 62358-02-5 |
|---|---|
| PubChem CID | 131841371 |
| 分子式 | C37H64N7O17P3S |
| 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] (E)-hexadec-9-enethioate |
| Molecular Weight | 1003.9 |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 33 |
| Exact Mass | 1003.32922577 |
| Monoisotopic Mass | 1003.32922577 |
| Topological Polar Surface Area | 389 |
| Heavy Atom Count | 65 |
Palmitelaidoyl-CoA; 9E-hexadecenoyl-CoA; Palmitelaidylcoenzyme A; (E)-S-9-hexadecenoate; S-(9E)-9-hexadecenoate; (E)-S-9-hexadecenoic acid; (E)-S-9-hexadecenoate CoA; S-(9E)-9-hexadecenoic acid; S-(9E)-9-hexadecenoate CoA; trans-9-Hexadecenoylcoenzyme A; DTXSID901298512; (E)-S-9-hexadecenoate Coenzyme A; LMFA07050358; S-(9E)-9-hexadecenoate Coenzyme A; Coenzyme A, S-(9E)-9-hexadecenoate
[5-(6-氨基嘌呤-9-基)-4-羟基-3-膦酰氧基四氢呋喃-2-基]甲基[[4-[[3-(2-十六烷酰硫基乙基氨基)-3-氧代丙基]氨基]-3-羟基-2,2-二甲基-4-氧代丁氧基]-氧化磷酰基]磷酸 · CAS 62358-02-5 · C37H64N7O17P3S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.