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20550-17-8 | α-D-Galactopyranoside, methyl 4,6-dichloro-4,6-dideoxy-, bis(4-methylbenzenesulfonate) (9CI)
CAS No: 20550-17-8 Catalog No: AG002A4K MDL No:
Product Description
Catalog Number:
AG002A4K
Chemical Name:
α-D-Galactopyranoside, methyl 4,6-dichloro-4,6-dideoxy-, bis(4-methylbenzenesulfonate) (9CI)
CAS Number:
20550-17-8
Molecular Formula:
C21H24Cl2O8S2
Molecular Weight:
539.4465
IUPAC Name:
[3-chloro-2-(chloromethyl)-6-methoxy-5-(4-methylphenyl)sulfonyloxyoxan-4-yl] 4-methylbenzenesulfonate
InChI:
InChI=1S/C21H24Cl2O8S2/c1-13-4-8-15(9-5-13)32(24,25)30-19-18(23)17(12-22)29-21(28-3)20(19)31-33(26,27)16-10-6-14(2)7-11-16/h4-11,17-21H,12H2,1-3H3
InChI Key:
KOZKMPBVEFANRC-UHFFFAOYSA-N
SMILES:
COC1OC(CCl)C(C(C1OS(=O)(=O)c1ccc(cc1)C)OS(=O)(=O)c1ccc(cc1)C)Cl
Properties
Complexity:
825
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
538.029g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
539.435g/mol
Monoisotopic Mass:
538.029g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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