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138182-21-5 | β-D-Galactopyranoside, 6-chloro-1H-indol-3-yl
CAS No: 138182-21-5 Catalog No: AG00185L MDL No:MFCD01310928
Product Description
Catalog Number:
AG00185L
Chemical Name:
β-D-Galactopyranoside, 6-chloro-1H-indol-3-yl
CAS Number:
138182-21-5
Molecular Formula:
C14H16ClNO6
Molecular Weight:
329.7329
MDL Number:
MFCD01310928
IUPAC Name:
(2S,3R,4S,5R,6R)-2-[(6-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C14H16ClNO6/c15-6-1-2-7-8(3-6)16-4-9(7)21-14-13(20)12(19)11(18)10(5-17)22-14/h1-4,10-14,16-20H,5H2/t10-,11+,12+,13-,14-/m1/s1
InChI Key:
OQWBAXBVBGNSPW-MBJXGIAVSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2c[nH]c3c2ccc(c3)Cl)[C@@H]([C@H]([C@H]1O)O)O
EC Number:
604-065-1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
329.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
329.733g/mol
Monoisotopic Mass:
329.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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