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155396-69-3 | 3,5-Oxazolidinedicarboxylic acid, 2-(4-methoxyphenyl)-4-phenyl-, 3-(1,1-dimethylethyl) ester, (2R,4S,5R)-
CAS No: 155396-69-3 Catalog No: AG001NVT MDL No:
Product Description
Catalog Number:
AG001NVT
Chemical Name:
3,5-Oxazolidinedicarboxylic acid, 2-(4-methoxyphenyl)-4-phenyl-, 3-(1,1-dimethylethyl) ester, (2R,4S,5R)-
CAS Number:
155396-69-3
Molecular Formula:
C22H24NO6-
Molecular Weight:
398.4291
IUPAC Name:
(2R,4S,5R)-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
InChI:
InChI=1S/C22H25NO6/c1-22(2,3)29-21(26)23-17(14-8-6-5-7-9-14)18(20(24)25)28-19(23)15-10-12-16(27-4)13-11-15/h5-13,17-19H,1-4H3,(H,24,25)/t17-,18+,19+/m0/s1
InChI Key:
MSVWUXLRSKRKFZ-IPMKNSEASA-N
SMILES:
COc1ccc(cc1)[C@H]1O[C@H]([C@@H](N1C(=O)OC(C)(C)C)c1ccccc1)C(=O)[O-]
EC Number:
605-008-3
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
399.168g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.443g/mol
Monoisotopic Mass:
399.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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