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Home > Fluorides > 145038-53-5
145038-53-5 | L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-methyl ester
CAS No: 145038-53-5 Catalog No: AG001KHY MDL No:MFCD08458573
Product Description
Catalog Number:
AG001KHY
Chemical Name:
L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-methyl ester
CAS Number:
145038-53-5
Molecular Formula:
C20H18NO6-
Molecular Weight:
368.3600
MDL Number:
MFCD08458573
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxy-4-oxobutanoic acid
InChI:
InChI=1S/C20H19NO6/c1-26-18(22)10-17(19(23)24)21-20(25)27-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H,21,25)(H,23,24)/t17-/m0/s1
InChI Key:
HSOKCYGOTGVDHL-KRWDZBQOSA-N
SMILES:
COC(=O)C[C@@H](C(=O)[O-])NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
369.121g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
369.373g/mol
Monoisotopic Mass:
369.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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