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7139-63-1 | 1,3,4,6-Tetra-O-acetyl-2-deoxy-2-trifluoracetamido-D-glucose
CAS No: 7139-63-1 Catalog No: AG005IZ0 MDL No:
Product Description
Catalog Number:
AG005IZ0
Chemical Name:
1,3,4,6-Tetra-O-acetyl-2-deoxy-2-trifluoracetamido-D-glucose
CAS Number:
7139-63-1
Molecular Formula:
C16H20F3NO10
Molecular Weight:
443.3259
IUPAC Name:
[3,4,6-triacetyloxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate
InChI:
InChI=1S/C16H20F3NO10/c1-6(21)26-5-10-12(27-7(2)22)13(28-8(3)23)11(14(30-10)29-9(4)24)20-15(25)16(17,18)19/h10-14H,5H2,1-4H3,(H,20,25)
InChI Key:
XSSGVGGOUZKLAR-UHFFFAOYSA-N
SMILES:
CC(=O)OCC1OC(OC(=O)C)C(C(C1OC(=O)C)OC(=O)C)NC(=O)C(F)(F)F
NSC Number:
111594
Properties
Complexity:
695
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.104g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
443.328g/mol
Monoisotopic Mass:
443.104g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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