黑芥子苷一水合物，CAS 登记号 3952-98-5，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于有机化学品。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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Sinigrin monohydrate · CAS 3952-98-5 · C10H17NO9S2. UNII 50UM64RMBJ. Melting Point: 125 - 127 °C.
| CAS Registry Number | 3952-98-5 |
|---|---|
| PubChem CID | 6911854 |
| Molecular formula | C10H17NO9S2 |
| IUPAC name | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxybut-3-enimidothioate |
| UNII (FDA) | 50UM64RMBJ |
| Molecular Weight | 359.4 |
|---|---|
| XLogP3 | -1.1 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 7 |
| Exact Mass | 359.03447347 |
| Monoisotopic Mass | 359.03447347 |
| Topological Polar Surface Area | 200 |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Melting Point | 125 - 127 °C |
|---|
| GHS notification summary | 50% (2 / 4) |
|---|
| GHS notification summary | 50% (2 / 4) |
|---|---|
| Reported hazard statements | H315 (25%), H317 (25%), H319 (25%), H335 (25%) |
This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.
H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]
Myronate; [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxybut-3-enimidothioate; CHEBI:79317; NSC-90774; NSC-407279; ((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) (1E)-N-sulfooxybut-3-enimidothioate; DTXSID30427761; RefChem:886355; DTXCID701769161; Glucopyranose, 1-thio-, 1-(3-butenohydroximate) NO-(hydrogen sulfate), monopotassium salt, beta-D-; 223-545-8; 3952-98-5; 50UM64RMBJ; Sinigrin; Myronic acid; 534-69-0
CAS 3952-98-5; molecular formula C10H17NO9S2; molecular weight — g/mol.
Myronate, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxybut-3-enimidothioate, CHEBI:79317, NSC-90774, NSC-407279, ((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) (1E)-N-sulfooxybut-3-enimidothioate.
50% of GHS notifications report no hazard classification (2 of 4).
Melting Point: 125 - 127 °C.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.