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140645-28-9 | ((S)-3-(TERT-BUTOXYCARBONYL)-2,2-DIMETHYLOXAZOLIDIN-4-YL)METHYL 4-METHYLBENZENESULFONATE
CAS No: 140645-28-9 Catalog No: AG00A9GC MDL No:MFCD11041414
Product Description
Catalog Number:
AG00A9GC
Chemical Name:
((S)-3-(TERT-BUTOXYCARBONYL)-2,2-DIMETHYLOXAZOLIDIN-4-YL)METHYL 4-METHYLBENZENESULFONATE
CAS Number:
140645-28-9
Molecular Formula:
C18H27NO6S
Molecular Weight:
385.4751
MDL Number:
MFCD11041414
IUPAC Name:
tert-butyl (4S)-2,2-dimethyl-4-[(4-methylphenyl)sulfonyloxymethyl]-1,3-oxazolidine-3-carboxylate
InChI:
InChI=1S/C18H27NO6S/c1-13-7-9-15(10-8-13)26(21,22)24-12-14-11-23-18(5,6)19(14)16(20)25-17(2,3)4/h7-10,14H,11-12H2,1-6H3/t14-/m0/s1
InChI Key:
KBDJCRUNHXFKLI-AWEZNQCLSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1COC(N1C(=O)OC(C)(C)C)(C)C
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
385.156g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.475g/mol
Monoisotopic Mass:
385.156g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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