Amarogentin Hydrate (CAS 21018-84-8) — formula C29H30O13, molecular weight 586.5; category organic chemicals.
| CAS Number | 21018-84-8 |
|---|---|
| Molecular Formula | C29H30O13 |
| Molecular Weight | 586.5 |
| LogP | 2.4 |
| Category | Organic Chemicals |
Amarogentin Hydrate is a carbon-based organic compound with CAS registry number 21018-84-8 and molecular formula C29H30O13 (molecular weight 586.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 21018-84-8
Its molecular formula C29H30O13 comprises 29 C, 30 H, 13 O atoms.
Also known as: Amarogentin Hydrate · 苦杏仁苷水合物
Category: organic chemicals
The CAS registry number of Amarogentin Hydrate is 21018-84-8.
Molecular formula C29H30O13, molecular weight 586.5.
It is also registered under: Amarogentin Hydrate, 苦杏仁苷水合物.
Category: Organic Chemicals.
Independent reference data for Amarogentin Hydrate (CAS 21018-84-8), compiled from public chemistry databases.
| CAS Registry Number | 21018-84-8 |
|---|---|
| PubChem CID | 115149 |
| Molecular formula | C29H30O13 |
| IUPAC name | [(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate |
| UNII (FDA) | 5L82GT5I0W |
| Molecular Weight | 586.5 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 8 |
| Exact Mass | 586.16864101 |
| Monoisotopic Mass | 586.16864101 |
| Topological Polar Surface Area | 202 |
| Heavy Atom Count | 42 |
Amarogentin; 21018-84-8; 5L82GT5I0W; DTXSID501029787; CHEBI:2622; RefChem:111835; DTXCID401514995; AMAROGENTIN [MI]; sweroside-2'-(3'',5'',3'''-trihydroxydiphenyl)-2''-carboxylic acid ester; SCHEMBL1031187; GTPL12459; C09767; HY-N2447; Q3613679; DBOVHQOUSDWAPQ-WTONXPSSSA-N; Amarogentin (Standard)
| GHS notification summary | 76.5% (91 / 119) |
|---|
| GHS notification summary | 76.5% (91 / 119) |
|---|---|
| Reported hazard statements | H302 (23.5%), H315 (23.5%), H319 (23.5%), H335 (23.5%) |
This chemical does not meet GHS hazard criteria for 76.5% (91 of 119) of all reports.
H302 (23.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Amarogentin Hydrate · CAS 21018-84-8 · C29H30O13. UNII 5L82GT5I0W.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 苦杏仁苷水合物