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13089-19-5 | α-D-Glucopyranoside, phenyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate
CAS No: 13089-19-5 Catalog No: AG000V2E MDL No:
Product Description
Catalog Number:
AG000V2E
Chemical Name:
α-D-Glucopyranoside, phenyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate
CAS Number:
13089-19-5
Molecular Formula:
C20H25NO9
Molecular Weight:
423.4138
IUPAC Name:
[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-phenoxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C20H25NO9/c1-11(22)21-17-19(28-14(4)25)18(27-13(3)24)16(10-26-12(2)23)30-20(17)29-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3,(H,21,22)/t16-,17-,18-,19-,20+/m1/s1
InChI Key:
RTIVQWVVADQPHA-WAPOTWQKSA-N
SMILES:
CC(=O)OC[C@H]1O[C@H](Oc2ccccc2)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
423.153g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.418g/mol
Monoisotopic Mass:
423.153g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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