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122996-47-8 | 1,2-Pyrrolidinedicarboxylic acid, 4-(1,1-dimethylethoxy)-, 1-(9H-fluoren-9-ylmethyl) ester, (2S,4R)-
CAS No: 122996-47-8 Catalog No: AG000JVO MDL No:MFCD00151930
Product Description
Catalog Number:
AG000JVO
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-(1,1-dimethylethoxy)-, 1-(9H-fluoren-9-ylmethyl) ester, (2S,4R)-
CAS Number:
122996-47-8
Molecular Formula:
C24H26NO5-
Molecular Weight:
408.4669
MDL Number:
MFCD00151930
IUPAC Name:
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C24H27NO5/c1-24(2,3)30-15-12-21(22(26)27)25(13-15)23(28)29-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-21H,12-14H2,1-3H3,(H,26,27)/t15-,21+/m1/s1
InChI Key:
WPBXBYOKQUEIDW-VFNWGFHPSA-N
SMILES:
[O-]C(=O)[C@@H]1C[C@H](CN1C(=O)OCC1c2ccccc2c2c1cccc2)OC(C)(C)C
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
409.189g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
409.482g/mol
Monoisotopic Mass:
409.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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