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128376-91-0 | α-D-Xylopyranose, 2,3,4-triacetate 1-(2,2,2-trichloroethanimidate)
CAS No: 128376-91-0 Catalog No: AG000Y1G MDL No:
Product Description
Catalog Number:
AG000Y1G
Chemical Name:
α-D-Xylopyranose, 2,3,4-triacetate 1-(2,2,2-trichloroethanimidate)
CAS Number:
128376-91-0
Molecular Formula:
C13H16Cl3NO8
Molecular Weight:
420.6270
IUPAC Name:
[(3R,4S,5R,6R)-4,5-diacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] acetate
InChI:
InChI=1S/C13H16Cl3NO8/c1-5(18)22-8-4-21-11(25-12(17)13(14,15)16)10(24-7(3)20)9(8)23-6(2)19/h8-11,17H,4H2,1-3H3/t8-,9+,10-,11-/m1/s1
InChI Key:
NAGHJYXWJQCCPK-LMLFDSFASA-N
SMILES:
CC(=O)OC1[C@H](OC[C@H](C1OC(=O)C)OC(=O)C)OC(=N)C(Cl)(Cl)Cl
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
418.994g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
420.62g/mol
Monoisotopic Mass:
418.994g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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