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126187-25-5 | α-D-Galactopyranoside, ethyl 1-thio-, 2,3,4,6-tetraacetate
CAS No: 126187-25-5 Catalog No: AG000S2S MDL No:MFCD00797607
Product Description
Catalog Number:
AG000S2S
Chemical Name:
α-D-Galactopyranoside, ethyl 1-thio-, 2,3,4,6-tetraacetate
CAS Number:
126187-25-5
Molecular Formula:
C16H24O9S
Molecular Weight:
392.4214
MDL Number:
MFCD00797607
IUPAC Name:
[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-ethylsulfanyloxan-2-yl]methyl acetate
InChI:
InChI=1S/C16H24O9S/c1-6-26-16-15(24-11(5)20)14(23-10(4)19)13(22-9(3)18)12(25-16)7-21-8(2)17/h12-16H,6-7H2,1-5H3/t12-,13+,14+,15-,16-/m1/s1
InChI Key:
YPNFVZQPWZMHIF-LYYZXLFJSA-N
SMILES:
CCS[C@H]1O[C@H](COC(=O)C)[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
392.114g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.419g/mol
Monoisotopic Mass:
392.114g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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