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150607-96-8 | α-D-Glucopyranuronic acid, methyl ester, 2,3,4-tris(2-methylpropanoate) 1-(2,2,2-trichloroethanimidate)
CAS No: 150607-96-8 Catalog No: AG001MRK MDL No:
Product Description
Catalog Number:
AG001MRK
Chemical Name:
α-D-Glucopyranuronic acid, methyl ester, 2,3,4-tris(2-methylpropanoate) 1-(2,2,2-trichloroethanimidate)
CAS Number:
150607-96-8
IUPAC Name:
methyl (2S,3S,4S,5R,6R)-3,4,5-tris(2-methylpropanoyloxy)-6-(2,2,2-trichloroethanimidoyl)oxyoxane-2-carboxylate
InChI:
InChI=1S/C21H30Cl3NO10/c1-8(2)15(26)31-11-12(32-16(27)9(3)4)14(33-17(28)10(5)6)19(34-13(11)18(29)30-7)35-20(25)21(22,23)24/h8-14,19,25H,1-7H3/t11-,12-,13-,14+,19+/m0/s1
InChI Key:
CCIDTXJAPRZHSL-BXIXQQKLSA-N
Properties
Complexity:
812
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
561.094g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
562.818g/mol
Monoisotopic Mass:
561.094g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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