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29266-96-4

29266-96-4 | β-D-Glucopyranoside, 8-quinolinyl

CAS No: 29266-96-4 Catalog No: AG002XWZ MDL No:MFCD00063950

Product Description

Catalog Number:
AG002XWZ
Chemical Name:
β-D-Glucopyranoside, 8-quinolinyl
CAS Number:
29266-96-4
Molecular Formula:
C15H17NO6
Molecular Weight:
307.2986
MDL Number:
MFCD00063950
IUPAC Name:
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-quinolin-8-yloxyoxane-3,4,5-triol
InChI:
InChI=1S/C15H17NO6/c17-7-10-12(18)13(19)14(20)15(22-10)21-9-5-1-3-8-4-2-6-16-11(8)9/h1-6,10,12-15,17-20H,7H2/t10-,12-,13+,14-,15-/m1/s1
InChI Key:
BWMXDESAZVPVGR-TVKJYDDYSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2cccc3c2nccc3)[C@@H]([C@H]([C@@H]1O)O)O

Properties

Complexity:
370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
307.106g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
307.302g/mol
Monoisotopic Mass:
307.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  

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