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145625-08-7 | 3,4-Oxazolidinedicarboxylic acid, 2-(1,1-dimethylethyl)-, 3-(1,1-dimethylethyl) 4-methyl ester, (2R,4S)-
CAS No: 145625-08-7 Catalog No: AG001D83 MDL No:MFCD09055139
Product Description
Catalog Number:
AG001D83
Chemical Name:
3,4-Oxazolidinedicarboxylic acid, 2-(1,1-dimethylethyl)-, 3-(1,1-dimethylethyl) 4-methyl ester, (2R,4S)-
CAS Number:
145625-08-7
Molecular Formula:
C14H25NO5
Molecular Weight:
287.3520
MDL Number:
MFCD09055139
IUPAC Name:
3-O-tert-butyl 4-O-methyl (2R,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
InChI:
InChI=1S/C14H25NO5/c1-13(2,3)11-15(12(17)20-14(4,5)6)9(8-19-11)10(16)18-7/h9,11H,8H2,1-7H3/t9-,11+/m0/s1
InChI Key:
GZAZHWGEIRAXKK-GXSJLCMTSA-N
SMILES:
COC(=O)[C@@H]1CO[C@@H](N1C(=O)OC(C)(C)C)C(C)(C)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
287.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.356g/mol
Monoisotopic Mass:
287.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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