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914912-14-4 | 3-Indolyl-b-D-cellobioside
CAS No: 914912-14-4 Catalog No: AG01E9KH MDL No:
Product Description
Catalog Number:
AG01E9KH
Chemical Name:
3-Indolyl-b-D-cellobioside
CAS Number:
914912-14-4
IUPAC Name:
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C20H27NO11/c22-6-11-13(24)14(25)16(27)20(30-11)32-18-12(7-23)31-19(17(28)15(18)26)29-10-5-21-9-4-2-1-3-8(9)10/h1-5,11-28H,6-7H2/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20+/m1/s1
InChI Key:
NILXSYFURRCVRZ-NQXZFOFXSA-N
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
457.158g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
457.432g/mol
Monoisotopic Mass:
457.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
194A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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