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144110-42-9 | β-D-Glucopyranosiduronic acid, 5-bromo-6-chloro-1H-indol-3-yl
CAS No: 144110-42-9 Catalog No: AG001IYG MDL No:MFCD01311740
Product Description
Catalog Number:
AG001IYG
Chemical Name:
β-D-Glucopyranosiduronic acid, 5-bromo-6-chloro-1H-indol-3-yl
CAS Number:
144110-42-9
Molecular Formula:
C14H13BrClNO7
Molecular Weight:
422.6125
MDL Number:
MFCD01311740
IUPAC Name:
(2S,3S,4S,5R,6S)-6-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI:
InChI=1S/C14H13BrClNO7/c15-5-1-4-7(2-6(5)16)17-3-8(4)23-14-11(20)9(18)10(19)12(24-14)13(21)22/h1-3,9-12,14,17-20H,(H,21,22)/t9-,10-,11+,12-,14+/m0/s1
InChI Key:
GAZVSOQUFLIBJQ-BYNIDDHOSA-N
SMILES:
OC(=O)[C@H]1O[C@@H](Oc2c[nH]c3c2cc(Br)c(c3)Cl)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
420.956g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
422.612g/mol
Monoisotopic Mass:
420.956g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| NAN fusions: a synthetic sialidase reporter gene as a sensitive and versatile partner for GUS. | The Plant journal : for cell and molecular biology 20021101 |
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