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76155-50-5 | (2R,3S,4R,5R,6R)-5-Acetamido-2-(acetoxymethyl)-6-ethoxytetrahydro-2H-pyran-3,4-diyl diacetate
CAS No: 76155-50-5 Catalog No: AG0057N9 MDL No:MFCD08704104
Product Description
Catalog Number:
AG0057N9
Chemical Name:
(2R,3S,4R,5R,6R)-5-Acetamido-2-(acetoxymethyl)-6-ethoxytetrahydro-2H-pyran-3,4-diyl diacetate
CAS Number:
76155-50-5
Molecular Formula:
C16H25NO9
Molecular Weight:
375.3710
MDL Number:
MFCD08704104
IUPAC Name:
[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-ethoxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C16H25NO9/c1-6-22-16-13(17-8(2)18)15(25-11(5)21)14(24-10(4)20)12(26-16)7-23-9(3)19/h12-16H,6-7H2,1-5H3,(H,17,18)/t12-,13-,14-,15-,16-/m1/s1
InChI Key:
POOQFLLMEIHRRF-OXGONZEZSA-N
SMILES:
CCO[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:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
375.153g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
375.374g/mol
Monoisotopic Mass:
375.153g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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