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Home > Fluorides > 198561-81-8
198561-81-8 | L-Threonine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-O-(phenylmethyl)-
CAS No: 198561-81-8 Catalog No: AG002BMJ MDL No:MFCD00235882
Product Description
Catalog Number:
AG002BMJ
Chemical Name:
L-Threonine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-O-(phenylmethyl)-
CAS Number:
198561-81-8
Molecular Formula:
C27H27NO5
Molecular Weight:
445.5070
MDL Number:
MFCD00235882
IUPAC Name:
(2S,3R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-phenylmethoxybutanoic acid
InChI:
InChI=1S/C27H27NO5/c1-18(32-16-19-10-4-3-5-11-19)25(26(29)30)28(2)27(31)33-17-24-22-14-8-6-12-20(22)21-13-7-9-15-23(21)24/h3-15,18,24-25H,16-17H2,1-2H3,(H,29,30)/t18-,25+/m1/s1
InChI Key:
OJELSPMZRJEODW-CJAUYULYSA-N
SMILES:
OC(=O)[C@@H](N(C(=O)OCC1c2ccccc2c2c1cccc2)C)[C@H](OCc1ccccc1)C
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
445.189g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
445.515g/mol
Monoisotopic Mass:
445.189g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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