glucobrassicin (CAS 4356-52-9) — formula C16H20N2O9S2, molecular weight 448.5; category organic chemicals.
| CAS Number | 4356-52-9 |
|---|---|
| Molecular Formula | C16H20N2O9S2 |
| Molecular Weight | 448.5 |
| LogP | -0.1 |
| Category | Organic Chemicals |
glucobrassicin is a carbon-based organic compound with CAS registry number 4356-52-9 and molecular formula C16H20N2O9S2 (molecular weight 448.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4356-52-9
Its molecular formula C16H20N2O9S2 comprises 16 C, 20 H, 2 N, 9 O, 2 S atoms.
Also known as: glucobrassicin · 芸薹葡糖硫苷
Category: organic chemicals
The CAS registry number of glucobrassicin is 4356-52-9.
Molecular formula C16H20N2O9S2, molecular weight 448.5.
It is also registered under: glucobrassicin, 芸薹葡糖硫苷.
Category: Organic Chemicals.
Independent reference data for glucobrassicin (CAS 4356-52-9), compiled from public chemistry databases.
| CAS 号 | 4356-52-9 |
|---|---|
| PubChem CID | 656506 |
| 分子式 | C16H20N2O9S2 |
| IUPAC 名称 | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate |
| UNII（FDA） | EA6EH0IU89 |
| Molecular Weight | 448.5 |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 7 |
| Exact Mass | 448.06102257 |
| Monoisotopic Mass | 448.06102257 |
| Topological Polar Surface Area | 216 |
| Heavy Atom Count | 29 |
Glucobrassicin; 4356-52-9; 3-Indolylmethylglucosinolate; DTXSID60963046; CHEBI:29028; 3-IMG; indol-3-ylmethyl glucosinolate; 1-S-[2-(1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose; 1-S-(2-(1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl)-1-thio-beta-D-glucopyranose; RefChem:663099; DTXCID601390818; (3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) (1E)-2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate; EA6EH0IU89; indolylmethyl glucosinolate; [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate; indol-3-ylmethylglucosinolate
| GHS 通报统计 | 100% (2 / 2) |
|---|
| GHS 通报统计 | 100% (2 / 2) |
|---|
芸薹葡糖硫苷 · CAS 4356-52-9 · C16H20N2O9S2. UNII EA6EH0IU89.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 芸薹葡糖硫苷