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Home > Indoles and Oxindole > 29702-28-1
29702-28-1 | β-D-Glucopyranose, 1-thio-, 1-[1-sulfo-N-(sulfooxy)-1H-indole-3-ethanimidate]
CAS No: 29702-28-1 Catalog No: AG002Z5D MDL No:
Product Description
Catalog Number:
AG002Z5D
Chemical Name:
β-D-Glucopyranose, 1-thio-, 1-[1-sulfo-N-(sulfooxy)-1H-indole-3-ethanimidate]
CAS Number:
29702-28-1
IUPAC Name:
3-[2-sulfooxyimino-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethyl]indole-1-sulfonic acid
InChI:
InChI=1S/C16H20N2O12S3/c19-7-11-13(20)14(21)15(22)16(29-11)31-12(17-30-33(26,27)28)5-8-6-18(32(23,24)25)10-4-2-1-3-9(8)10/h1-4,6,11,13-16,19-22H,5,7H2,(H,23,24,25)(H,26,27,28)/t11-,13-,14+,15-,16+/m1/s1
InChI Key:
JZFQZINWXSEVSO-JZYAIQKZSA-N
Properties
Complexity:
918
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
528.018g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
528.518g/mol
Monoisotopic Mass:
528.018g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
268A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-1
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