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19041-10-2 | β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)-5-hexenimidate]
CAS No: 19041-10-2 Catalog No: AG002EJL MDL No:
Product Description
Catalog Number:
AG002EJL
Chemical Name:
β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)-5-hexenimidate]
CAS Number:
19041-10-2
IUPAC Name:
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-sulfooxyhex-5-enimidothioate
InChI:
InChI=1S/C12H21NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h2,7,9-12,14-17H,1,3-6H2,(H,18,19,20)/b13-8-/t7-,9-,10+,11-,12+/m1/s1
InChI Key:
XMJFVIGTHMOGNZ-AHMUMSBHSA-N
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
1
Exact Mass:
387.066g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
387.418g/mol
Monoisotopic Mass:
387.066g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
200A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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