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155397-98-1 | 2-Pyrrolidinone, 3,4,5-tris(acetyloxy)-1-(phenylmethyl)-, (3S,4R,5R)-
CAS No: 155397-98-1 Catalog No: AG001NVP MDL No:
Product Description
Catalog Number:
AG001NVP
Chemical Name:
2-Pyrrolidinone, 3,4,5-tris(acetyloxy)-1-(phenylmethyl)-, (3S,4R,5R)-
CAS Number:
155397-98-1
Molecular Formula:
C17H19NO7
Molecular Weight:
349.3353
IUPAC Name:
[(2R,3R,4S)-2,4-diacetyloxy-1-benzyl-5-oxopyrrolidin-3-yl] acetate
InChI:
InChI=1S/C17H19NO7/c1-10(19)23-14-15(24-11(2)20)17(25-12(3)21)18(16(14)22)9-13-7-5-4-6-8-13/h4-8,14-15,17H,9H2,1-3H3/t14-,15+,17+/m0/s1
InChI Key:
UYUVTJQCTNMFTG-ZMSDIMECSA-N
SMILES:
CC(=O)O[C@@H]1C(=O)N([C@@H]([C@@H]1OC(=O)C)OC(=O)C)Cc1ccccc1
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
349.116g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.339g/mol
Monoisotopic Mass:
349.116g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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