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28463-28-7 | β-D-Glucopyranose, 1-thio-, 1-[3-hydroxy-3-methyl-N-(sulfooxy)butanimidate]
CAS No: 28463-28-7 Catalog No: AG002VDG MDL No:
Product Description
Catalog Number:
AG002VDG
Chemical Name:
β-D-Glucopyranose, 1-thio-, 1-[3-hydroxy-3-methyl-N-(sulfooxy)butanimidate]
CAS Number:
28463-28-7
IUPAC Name:
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-3-methyl-N-sulfooxybutanimidothioate
InChI:
InChI=1S/C11H21NO10S2/c1-11(2,17)3-6(12-22-24(18,19)20)23-10-9(16)8(15)7(14)5(4-13)21-10/h5,7-10,13-17H,3-4H2,1-2H3,(H,18,19,20)/t5-,7-,8+,9-,10+/m1/s1
InChI Key:
DYAQCRHEYVANDL-HOQQJHGQSA-N
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
391.061g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
391.406g/mol
Monoisotopic Mass:
391.061g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
220A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-1.9
Literature
| Title | Journal |
|---|---|
| Glucosinolates in Moringa stenopetala. | Planta medica 20030401 |
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