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Home > Fluorides > 130304-80-2
130304-80-2 | L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-cyclohexyl ester
CAS No: 130304-80-2 Catalog No: AG000U9F MDL No:MFCD00135420
Product Description
Catalog Number:
AG000U9F
Chemical Name:
L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-cyclohexyl ester
CAS Number:
130304-80-2
Molecular Formula:
C25H26NO6-
Molecular Weight:
436.4770
MDL Number:
MFCD00135420
IUPAC Name:
(2S)-4-cyclohexyloxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
InChI:
InChI=1S/C25H27NO6/c27-23(32-16-8-2-1-3-9-16)14-22(24(28)29)26-25(30)31-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,16,21-22H,1-3,8-9,14-15H2,(H,26,30)(H,28,29)/t22-/m0/s1
InChI Key:
OCMZRMNYEXIKQI-QFIPXVFZSA-N
SMILES:
[O-]C(=O)C[C@@H](C(=O)OC1CCCCC1)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
437.184g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
437.492g/mol
Monoisotopic Mass:
437.184g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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