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24718-43-2 | β-D-Galactopyranoside, 4-chloro-2-cyclopentylphenyl
CAS No: 24718-43-2 Catalog No: AG002P6Z MDL No:
Product Description
Catalog Number:
AG002P6Z
Chemical Name:
β-D-Galactopyranoside, 4-chloro-2-cyclopentylphenyl
CAS Number:
24718-43-2
Molecular Formula:
C17H23ClO6
Molecular Weight:
358.8139
IUPAC Name:
(2S,3R,4S,5R,6R)-2-(4-chloro-2-cyclopentylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C17H23ClO6/c18-10-5-6-12(11(7-10)9-3-1-2-4-9)23-17-16(22)15(21)14(20)13(8-19)24-17/h5-7,9,13-17,19-22H,1-4,8H2/t13-,14+,15+,16-,17-/m1/s1
InChI Key:
OIPLGSGCPWWFRT-DRRXZNNHSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccc(cc2C2CCCC2)Cl)[C@@H]([C@H]([C@H]1O)O)O
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
358.118g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
358.815g/mol
Monoisotopic Mass:
358.118g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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