1-hexadecyl 3-[2-[[3-hydroxy-5-(octadec-9-enyloxy)-3-[(octadec-9-enyloxy)carbonyl]-5-oxovaleroyl]oxy]-1-methylethyl] 2-octadecyl citrate (CAS 84864-67-5) — formula C85H156O14, molecular weight 1402.1; category organic chemicals.
| CAS Number | 84864-67-5 |
|---|---|
| Molecular Formula | C85H156O14 |
| Molecular Weight | 1402.1 |
| LogP | 30.5 |
| Category | Organic Chemicals |
1-hexadecyl 3-[2-[[3-hydroxy-5-(octadec-9-enyloxy)-3-[(octadec-9-enyloxy)carbonyl]-5-oxovaleroyl]oxy]-1-methylethyl] 2-octadecyl citrate is a carbon-based organic compound with CAS registry number 84864-67-5 and molecular formula C85H156O14 (molecular weight 1402.1), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 84864-67-5
Its molecular formula C85H156O14 comprises 85 C, 156 H, 14 O atoms.
Also known as: 1-hexadecyl 3-[2-[[3-hydroxy-5-(octadec-9-enyloxy)-3-[(octadec-9-enyloxy)carbonyl]-5-oxovaleroyl]oxy]-1-methylethyl] 2-octadecyl citrate · 1-十六烷基3-[2-[[3-羟基-5-(十八-9-烯氧基)-3-[(十八-9-烯氧基)羰基]-5-氧代戊酰基]氧基]-1-甲基乙基] 2-十八烷基柠檬酸酯
Category: organic chemicals
The CAS registry number of 1-hexadecyl 3-[2-[[3-hydroxy-5-(octadec-9-enyloxy)-3-[(octadec-9-enyloxy)carbonyl]-5-oxovaleroyl]oxy]-1-methylethyl] 2-octadecyl citrate is 84864-67-5.
Molecular formula C85H156O14, molecular weight 1402.1.
It is also registered under: 1-hexadecyl 3-[2-[[3-hydroxy-5-(octadec-9-enyloxy)-3-[(octadec-9-enyloxy)carbonyl]-5-oxovaleroyl]oxy]-1-methylethyl] 2-octadecyl citrate, 1-十六烷基3-[2-[[3-羟基-5-(十八-9-烯氧基)-3-[(十八-9-烯氧基)羰基]-5-氧代戊酰基]氧基]-1-甲基乙基] 2-十八烷基柠檬酸酯.
Category: Organic Chemicals.
Independent reference data for 1-hexadecyl 3-[2-[[3-hydroxy-5-(octadec-9-enyloxy)-3-[(octadec-9-enyloxy)carbonyl]-5-oxovaleroyl]oxy]-1-methylethyl] 2-octadecyl citrate (CAS 84864-67-5), compiled from public chemistry databases.
| CAS 号 | 84864-67-5 |
|---|---|
| PubChem CID | 44153967 |
| 分子式 | C85H156O14 |
| IUPAC 名称 | 5-[2,3-dihydroxy-5-[(E)-octadec-9-enoxy]-3-[(E)-octadec-9-enoxy]carbonyl-5-oxopentanoyl]oxy-3-hexadecoxycarbonyl-4-methyl-3-(2-octadecan-2-yloxy-2-oxoethyl)pentanoic acid |
| Molecular Weight | 1402.1 |
|---|---|
| XLogP3 | 30.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 81 |
| Exact Mass | 1401.14950965 |
| Monoisotopic Mass | 1401.14950965 |
| Topological Polar Surface Area | 209 |
| Heavy Atom Count | 99 |
1-十六烷基3-[2-[[3-羟基-5-(十八-9-烯氧基)-3-[(十八-9-烯氧基)羰基]-5-氧代戊酰基]氧基]-1-甲基乙基] 2-十八烷基柠檬酸酯 · CAS 84864-67-5 · C85H156O14.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1-十六烷基3-[2-[[3-羟基-5-(十八-9-烯氧基)-3-[(十八-9-烯氧基)羰基]-5-氧代戊酰基]氧基]-1-甲基乙基] 2-十八烷基柠檬酸酯