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146288-30-4 | β-D-Glucopyranoside, pentyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate
CAS No: 146288-30-4 Catalog No: AG001DUQ MDL No:MFCD08704003
Product Description
Catalog Number:
AG001DUQ
Chemical Name:
β-D-Glucopyranoside, pentyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate
CAS Number:
146288-30-4
Molecular Formula:
C19H31NO9
Molecular Weight:
417.4507
MDL Number:
MFCD08704003
IUPAC Name:
[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-pentoxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C19H31NO9/c1-6-7-8-9-25-19-16(20-11(2)21)18(28-14(5)24)17(27-13(4)23)15(29-19)10-26-12(3)22/h15-19H,6-10H2,1-5H3,(H,20,21)/t15-,16-,17-,18-,19-/m1/s1
InChI Key:
VWZQHRQPSJCOMU-FVVUREQNSA-N
SMILES:
CCCCCO[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1NC(=O)C)OC(=O)C)OC(=O)C
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
417.2g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
417.455g/mol
Monoisotopic Mass:
417.2g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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