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Home > Indoles and Oxindole > 207598-26-3
207598-26-3 | β-D-Galactopyranoside, 1-methyl-1H-indol-3-yl
CAS No: 207598-26-3 Catalog No: AG002J50 MDL No:MFCD00467869
Product Description
Catalog Number:
AG002J50
Chemical Name:
β-D-Galactopyranoside, 1-methyl-1H-indol-3-yl
CAS Number:
207598-26-3
Molecular Formula:
C15H19NO6
Molecular Weight:
309.3145
MDL Number:
MFCD00467869
IUPAC Name:
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1-methylindol-3-yl)oxyoxane-3,4,5-triol
InChI:
InChI=1S/C15H19NO6/c1-16-6-10(8-4-2-3-5-9(8)16)21-15-14(20)13(19)12(18)11(7-17)22-15/h2-6,11-15,17-20H,7H2,1H3/t11-,12+,13+,14-,15-/m1/s1
InChI Key:
FDECOIVNOJUVCV-GZBLMMOJSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2cn(c3c2cccc3)C)[C@@H]([C@H]([C@H]1O)O)O
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
309.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
309.318g/mol
Monoisotopic Mass:
309.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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