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183233-11-6 | D-lyxo-Hept-2-enonamide, 2,6-anhydro-3-deoxy-, 4,5,7-triacetate
CAS No: 183233-11-6 Catalog No: AG0027FH MDL No:
Product Description
Catalog Number:
AG0027FH
Chemical Name:
D-lyxo-Hept-2-enonamide, 2,6-anhydro-3-deoxy-, 4,5,7-triacetate
CAS Number:
183233-11-6
Molecular Formula:
C13H17NO8
Molecular Weight:
315.2760
IUPAC Name:
[(2R,3R,4R)-3,4-diacetyloxy-6-carbamoyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate
InChI:
InChI=1S/C13H17NO8/c1-6(15)19-5-11-12(21-8(3)17)9(20-7(2)16)4-10(22-11)13(14)18/h4,9,11-12H,5H2,1-3H3,(H2,14,18)/t9-,11-,12-/m1/s1
InChI Key:
XUVLXMVOLKHALG-YUSALJHKSA-N
SMILES:
CC(=O)OC[C@H]1OC(=C[C@H]([C@H]1OC(=O)C)OC(=O)C)C(=O)N
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
315.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.278g/mol
Monoisotopic Mass:
315.095g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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