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Home > Fluorides > 181952-24-9
181952-24-9 | L-Tyrosine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-sulfo-
CAS No: 181952-24-9 Catalog No: AG00238W MDL No:
Product Description
Catalog Number:
AG00238W
Chemical Name:
L-Tyrosine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-sulfo-
CAS Number:
181952-24-9
Molecular Formula:
C24H21NO8S
Molecular Weight:
483.4904
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-sulfooxyphenyl)propanoic acid
InChI:
InChI=1S/C24H21NO8S/c26-23(27)22(13-15-9-11-16(12-10-15)33-34(29,30)31)25-24(28)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,25,28)(H,26,27)(H,29,30,31)/t22-/m0/s1
InChI Key:
CXMQJJASTSGJCK-QFIPXVFZSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccc(cc1)OS(=O)(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
797
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
483.099g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
483.491g/mol
Monoisotopic Mass:
483.099g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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