Basic information
- CAS
67920-64-3- Standard SMILES
C[S+]([O-])CCCCCCCCC/C(=N\OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.[K+]- InChIKey
KEGAIERKBBZUIS-MWHVBXTDSA-M- Molecular formula
- C17H32KNO10S3
- Average molar mass
- 545.7 g/mol
- Monoisotopic mass
- 545.0825409
Names & identifiers
- Preferred name
- potassium [(E)-[10-methylsulfinyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyldecylidene]amino] sulfate
- IUPAC
- potassium [(E)-[10-methylsulfinyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyldecylidene]amino] sulfate
- English name
- Glucoarabin potassium salt
- Molecular formula
- C17H33NO10S3
- Molecular weight
- 507.63
Names & synonyms
67920-64-3FS-6802potassium;[(E)-[10-methylsulfinyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyldecylidene]amino] sulfateGlucoarabin potassiumGlucoarabin potassium saltβ-D-Glucopyranose, 1-thio-, 1-[10-(methylsulfinyl)-N-(sulfooxy)decanimidate]
Database identifiers
- CAS
67920-64-3- EC Number
- 112-313-0
Properties
Computed structural properties
- Topological polar surface area
- 239 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 15
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 676
Physicochemical properties
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -2.88 · -2.88±0.18(Predicted)
- form
- solid
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P362+P364
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 A · Skin Sens. 1A
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1A (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317
- Hazard Classifications
- Skin Sens. 1A
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P362+P364
Chemistry & industry
Applications
UsesGlucoarabin is a bioactive glucosinolate. In Hepa1c1c7 cells, hydrolyzed Glucoarabin (hGSL 9) upregulates the phase II detoxification enzyme quinone reductase (NQO1), with no effect on cytochrome P450 (CYP) 1A1 activity[1].
Suppliers9 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
深圳纽柯尔化学技术有限公司13612807752 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
南京狄尔格医药科技有限公司025-025-51191215 18013836722 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…