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59564-78-2 | 1,3-Bisbenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid
CAS No: 59564-78-2 Catalog No: AG00370D MDL No:MFCD06798134
Product Description
Catalog Number:
AG00370D
Chemical Name:
1,3-Bisbenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid
CAS Number:
59564-78-2
Molecular Formula:
C19H18N2O5
Molecular Weight:
354.3566
MDL Number:
MFCD06798134
IUPAC Name:
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)
InChI Key:
QSMUFXXTSUEZJA-UHFFFAOYSA-N
SMILES:
OC(=O)C1C(C(=O)O)N(C(=O)N1Cc1ccccc1)Cc1ccccc1
EC Number:
261-806-8
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthetic studies on d-biotin, part 9. An improved asymmetric synthetic route to d-biotin via Hoffmann-Roche lactone-thiolactone approach. | Chemical & pharmaceutical bulletin 20050701 |
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