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Home > Fluorides > 1217603-41-2
1217603-41-2 | L-Allothreonine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-methyl-
CAS No: 1217603-41-2 Catalog No: AG0015TM MDL No:MFCD04974410
Product Description
Catalog Number:
AG0015TM
Chemical Name:
L-Allothreonine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-methyl-
CAS Number:
1217603-41-2
Molecular Formula:
C20H21NO5
Molecular Weight:
355.3844
MDL Number:
MFCD04974410
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-3-methylbutanoic acid
InChI:
InChI=1S/C20H21NO5/c1-20(2,25)17(18(22)23)21-19(24)26-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16-17,25H,11H2,1-2H3,(H,21,24)(H,22,23)/t17-/m1/s1
InChI Key:
KIOMNBRJPAICIT-QGZVFWFLSA-N
SMILES:
O=C(N[C@@H](C(O)(C)C)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
3
Isotope Atom Count:
0
Molecular Weight:
355.39g/mol
Monoisotopic Mass:
355.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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