Cas no 29611-01-6 (b-D-Glucopyranose, 1-thio-,1-[6-(methylthio)-N-(sulfooxy)hexanimidate])
![b-D-Glucopyranose, 1-thio-,1-[6-(methylthio)-N-(sulfooxy)hexanimidate] structure](https://ossimg.kuujia.com/scimg/30000/29611-01-6x500.png)
29611-01-6 structure
Product Name:b-D-Glucopyranose, 1-thio-,1-[6-(methylthio)-N-(sulfooxy)hexanimidate]
CAS No:29611-01-6
MF:C13H25NO9S3
MW:435.533900976181
CID:268701
PubChem ID:9548727
Update Time:2025-04-19
b-D-Glucopyranose, 1-thio-,1-[6-(methylthio)-N-(sulfooxy)hexanimidate] Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucopyranose, 1-thio-,1-[6-(methylthio)-N-(sulfooxy)hexanimidate]
- beta-D-Glucopyranose, 1-thio-, 1-[6-(methylthio)-N-(sulfooxy)hexanimidate]
- EJ23Z77QY3
- .BETA.-D-GLUCOPYRANOSE, 1-THIO-, 1-(6-(METHYLTHIO)-N-(SULFOOXY)HEXANIMIDATE)
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-6-methylsulfanyl-N-sulfooxyhexanimidothioate
- ((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL) (1E)-6-METHYLSULFANYL-N-SULFOOXYHEXANIMIDOTHIOATE
- Glucoberteroin
- 29611-01-6
- 5-Methylthio-n-pentyl glucosinolate
- 5-methylthiopentylglucosinolate
- UNII-EJ23Z77QY3
- Glucopyranose, 1-thio-, 1-(6-(methylthio)hexanohydroximate) NO-(hydrogen sulfate), beta-D-
- 5-(METHYLSULFANYL) PENTYL GLUCOSINOLATE
- GLUCOPYRANOSE, 1-THIO-, 1-(6-(METHYLTHIO)HEXANOHYDROXIMATE) NO-(HYDROGEN SULFATE), .BETA.-D-
- 5-(Methylthio)pentyl glucosinolate
- 5-Methylthiopentyl glucosinolate
- 5-(Methylthio)pentylglucosinolate potassium salt
-
- Inchi： 1S/C13H25NO9S3/c1-24-6-4-2-3-5-9(14-23-26(19,20)21)25-13-12(18)11(17)10(16)8(7-15)22-13/h8,10-13,15-18H,2-7H2,1H3,(H,19,20,21)/b14-9+/t8-,10-,11+,12-,13+/m1/s1
- InChI Key： MEFPHTVXBPLRLX-KHXSHCKASA-N
- SMILES： S(/C(/CCCCCSC)=N/OS(=O)(=O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O
Computed Properties
- Exact Mass: 434.06142
- Monoisotopic Mass: 435.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 26
- Rotatable Bond Count: 11
- Complexity: 540
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 225A^2
- XLogP3: -0.2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 168.94
b-D-Glucopyranose, 1-thio-,1-[6-(methylthio)-N-(sulfooxy)hexanimidate] Related Literature
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Don Brian Clarke Anal. Methods 2010 2 310
29611-01-6 (b-D-Glucopyranose, 1-thio-,1-[6-(methylthio)-N-(sulfooxy)hexanimidate]) Related Products
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- 21973-56-8(b-D-Glucopyranose, 1-thio-,1-[5-(methylthio)-N-(sulfooxy)pentanimidate])
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