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26339-40-2 | 4,5-Imidazolidinedicarboxylic acid, 1,3-dibenzyl-2-oxo-, trans- (8CI)
CAS No: 26339-40-2 Catalog No: AG002STF MDL No:
Product Description
Catalog Number:
AG002STF
Chemical Name:
4,5-Imidazolidinedicarboxylic acid, 1,3-dibenzyl-2-oxo-, trans- (8CI)
CAS Number:
26339-40-2
Molecular Formula:
C19H18N2O5
Molecular Weight:
354.3566
IUPAC Name:
(4R,5R)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid
InChI:
InChI=1S/C19H18N2O5/c22-17(23)15-16(18(24)25)21(12-14-9-5-2-6-10-14)19(26)20(15)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,22,23)(H,24,25)/t15-,16-/m1/s1
InChI Key:
QSMUFXXTSUEZJA-HZPDHXFCSA-N
SMILES:
OC(=O)[C@H]1[C@H](C(=O)O)N(C(=O)N1Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
354.122g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
354.362g/mol
Monoisotopic Mass:
354.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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