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29611-01-6 | β-D-Glucopyranose, 1-thio-, 1-[6-(methylthio)-N-(sulfooxy)hexanimidate]
CAS No: 29611-01-6 Catalog No: AG002YWU MDL No:
Product Description
Catalog Number:
AG002YWU
Chemical Name:
β-D-Glucopyranose, 1-thio-, 1-[6-(methylthio)-N-(sulfooxy)hexanimidate]
CAS Number:
29611-01-6
IUPAC Name:
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 6-methylsulfanyl-N-sulfooxyhexanimidothioate
InChI:
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)/t8-,10-,11+,12-,13+/m1/s1
InChI Key:
MEFPHTVXBPLRLX-ZMHPAJMFSA-N
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
435.069g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
435.521g/mol
Monoisotopic Mass:
435.069g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
225A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Glucosinolate profiling and antimicrobial screening of Aurinia leucadea (Brassicaceae). | Chemistry & biodiversity 20111201 |
| Glucosinolate distribution in aerial parts of Degenia velebitica. | Chemistry & biodiversity 20111101 |
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