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122350-59-8 | 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(9H-fluoren-9-ylmethyl) 2-methyl ester, (2S,4R)-
CAS No: 122350-59-8 Catalog No: AG00175F MDL No:MFCD12545917
Product Description
Catalog Number:
AG00175F
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(9H-fluoren-9-ylmethyl) 2-methyl ester, (2S,4R)-
CAS Number:
122350-59-8
Molecular Formula:
C21H21NO5
Molecular Weight:
367.3951
MDL Number:
MFCD12545917
IUPAC Name:
1-O-(9H-fluoren-9-ylmethyl) 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C21H21NO5/c1-26-20(24)19-10-13(23)11-22(19)21(25)27-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18-19,23H,10-12H2,1H3/t13-,19+/m1/s1
InChI Key:
AWCMBJJPVSUPSS-YJYMSZOUSA-N
SMILES:
COC(=O)[C@@H]1C[C@H](CN1C(=O)OCC1c2ccccc2c2c1cccc2)O
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
367.142g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
367.401g/mol
Monoisotopic Mass:
367.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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