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131613-93-9 | 3-Oxazolidinecarboxylic acid, 4-[(2,5-dihydro-5-oxo-2-furanyl)hydroxymethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, [4S-[4R*[R*(R*)]]]- (9CI)
CAS No: 131613-93-9 Catalog No: AG000ZI1 MDL No:
Product Description
Catalog Number:
AG000ZI1
Chemical Name:
3-Oxazolidinecarboxylic acid, 4-[(2,5-dihydro-5-oxo-2-furanyl)hydroxymethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, [4S-[4R*[R*(R*)]]]- (9CI)
CAS Number:
131613-93-9
IUPAC Name:
tert-butyl (4S)-4-[(S)-hydroxy-[(2S)-5-oxo-2H-furan-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
InChI:
InChI=1S/C15H23NO6/c1-14(2,3)22-13(19)16-9(8-20-15(16,4)5)12(18)10-6-7-11(17)21-10/h6-7,9-10,12,18H,8H2,1-5H3/t9-,10-,12-/m0/s1
InChI Key:
XLXUOUVMYCUWGG-NHCYSSNCSA-N
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
313.153g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.35g/mol
Monoisotopic Mass:
313.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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