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132592-07-5 | 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1,2-bis(phenylmethyl) ester, (2S,4S)-
CAS No: 132592-07-5 Catalog No: AG0010VB MDL No:MFCD12963553
Product Description
Catalog Number:
AG0010VB
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1,2-bis(phenylmethyl) ester, (2S,4S)-
CAS Number:
132592-07-5
Molecular Formula:
C20H21NO5
Molecular Weight:
355.3844
MDL Number:
MFCD12963553
IUPAC Name:
dibenzyl (2S,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C20H21NO5/c22-17-11-18(19(23)25-13-15-7-3-1-4-8-15)21(12-17)20(24)26-14-16-9-5-2-6-10-16/h1-10,17-18,22H,11-14H2/t17-,18-/m0/s1
InChI Key:
XHKMBFDLCAZWCR-ROUUACIJSA-N
SMILES:
O[C@@H]1CN([C@@H](C1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
355.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.39g/mol
Monoisotopic Mass:
355.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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