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Home > Indoles and Oxindole > 126787-65-3
126787-65-3 | β-D-Galactopyranoside, 1H-indol-3-yl
CAS No: 126787-65-3 Catalog No: AG000T8I MDL No:MFCD00083389
Product Description
Catalog Number:
AG000T8I
Chemical Name:
β-D-Galactopyranoside, 1H-indol-3-yl
CAS Number:
126787-65-3
Molecular Formula:
C14H17NO6
Molecular Weight:
295.2879
MDL Number:
MFCD00083389
IUPAC Name:
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol
InChI:
InChI=1S/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2/t10-,11+,12+,13-,14-/m1/s1
InChI Key:
XVARCVCWNFACQC-MBJXGIAVSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2c[nH]c3c2cccc3)[C@@H]([C@H]([C@H]1O)O)O
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
295.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
295.291g/mol
Monoisotopic Mass:
295.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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