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381241-08-3 | trans-2-(Fmoc-amino)cyclohexanecarboxylic acid
CAS No: 381241-08-3 Catalog No: AG003UVN MDL No:MFCD02682626
Product Description
Catalog Number:
AG003UVN
Chemical Name:
trans-2-(Fmoc-amino)cyclohexanecarboxylic acid
CAS Number:
381241-08-3
Molecular Formula:
C44H46N2O8
Molecular Weight:
730.8446
MDL Number:
MFCD02682626
IUPAC Name:
(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C22H23NO4/c24-21(25)18-11-5-6-12-20(18)23-22(26)27-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-4,7-10,18-20H,5-6,11-13H2,(H,23,26)(H,24,25)/t18-,20-/m1/s1
InChI Key:
NZMNDTGOODAUNI-UYAOXDASSA-N
SMILES:
O=C(N[C@H]1CCCC[C@@H]1C(=O)O)OCC1c2ccccc2c2c1cccc2.O=C(N[C@@H]1CCCC[C@H]1C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
365.163g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
365.429g/mol
Monoisotopic Mass:
365.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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