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76375-60-5 | (3R,4R,5R,6R);-3-Acetamido-6-(acetoxymethyl);tetrahydro-2H-pyran-2,4,5-triyl triacetate
CAS No: 76375-60-5 Catalog No: AG005DYI MDL No:MFCD00050926
Product Description
Catalog Number:
AG005DYI
Chemical Name:
(3R,4R,5R,6R);-3-Acetamido-6-(acetoxymethyl);tetrahydro-2H-pyran-2,4,5-triyl triacetate
CAS Number:
76375-60-5
Molecular Formula:
C16H23NO10
Molecular Weight:
389.3545
MDL Number:
MFCD00050926
IUPAC Name:
[(2R,3R,4R,5R)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C16H23NO10/c1-7(18)17-13-15(25-10(4)21)14(24-9(3)20)12(6-23-8(2)19)27-16(13)26-11(5)22/h12-16H,6H2,1-5H3,(H,17,18)/t12-,13-,14+,15-,16?/m1/s1
InChI Key:
OVPIZHVSWNOZMN-IWQYDBTJSA-N
SMILES:
CC(=O)OC[C@H]1OC(OC(=O)C)[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)NC(=O)C
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
389.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.357g/mol
Monoisotopic Mass:
389.132g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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