4-Methoxyglucobrassicin (CAS 83327-21-3) — formula C17H22N2O10S2, molecular weight 478.5; category organic chemicals.
| CAS Number | 83327-21-3 |
|---|---|
| Molecular Formula | C17H22N2O10S2 |
| Molecular Weight | 478.5 |
| LogP | -0.1 |
| Category | Organic Chemicals |
4-Methoxyglucobrassicin is a carbon-based organic compound with CAS registry number 83327-21-3 and molecular formula C17H22N2O10S2 (molecular weight 478.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 83327-21-3
Its molecular formula C17H22N2O10S2 comprises 17 C, 22 H, 2 N, 10 O, 2 S atoms.
Also known as: 4-Methoxyglucobrassicin · 4-甲氧基吲哚基-3-甲基硫苷
Category: organic chemicals
The CAS registry number of 4-Methoxyglucobrassicin is 83327-21-3.
Molecular formula C17H22N2O10S2, molecular weight 478.5.
It is also registered under: 4-Methoxyglucobrassicin, 4-甲氧基吲哚基-3-甲基硫苷.
Category: Organic Chemicals.
Independent reference data for 4-Methoxyglucobrassicin (CAS 83327-21-3), compiled from public chemistry databases.
| CAS 号 | 83327-21-3 |
|---|---|
| PubChem CID | 656563 |
| 分子式 | C17H22N2O10S2 |
| IUPAC 名称 | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate |
| UNII（FDA） | NS00094487 |
| Molecular Weight | 478.5 |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 8 |
| Exact Mass | 478.07158725 |
| Monoisotopic Mass | 478.07158725 |
| Topological Polar Surface Area | 225 |
| Heavy Atom Count | 31 |
4-Methoxyglucobrassicin; 83327-21-3; DTXSID901003296; CHEBI:1890; RefChem:912651; DTXCID301772714; C08423; AC1LCV7G; orb1683499; SCHEMBL2289935; 1-S-[2-(4-methoxy-1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose; NS00094487; Q27105519; (4-Methoxy-3-indolylmethyl)glucosinolate; 4-Methoxy Indole-3-methyl Glucosinolate;
4-甲氧基吲哚基-3-甲基硫苷 · CAS 83327-21-3 · C17H22N2O10S2. UNII NS00094487.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-甲氧基吲哚基-3-甲基硫苷