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Home > Fluorides > 181817-14-1
181817-14-1 | L-Threonine, O-acetyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 181817-14-1 Catalog No: AG002356 MDL No:MFCD01861336
Product Description
Catalog Number:
AG002356
Chemical Name:
L-Threonine, O-acetyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
181817-14-1
Molecular Formula:
C21H21NO6
Molecular Weight:
383.3945
MDL Number:
MFCD01861336
IUPAC Name:
(2S,3R)-3-acetyloxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C21H21NO6/c1-12(28-13(2)23)19(20(24)25)22-21(26)27-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,12,18-19H,11H2,1-2H3,(H,22,26)(H,24,25)/t12-,19+/m1/s1
InChI Key:
ZITLPPLNBYOLDJ-BLVKFPJESA-N
SMILES:
O=C(N[C@@H]([C@H](OC(=O)C)C)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
383.137g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
383.4g/mol
Monoisotopic Mass:
383.137g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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