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Home > Fluorides > 121593-77-9
121593-77-9 | L-Norleucine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenyl ester (9CI)
CAS No: 121593-77-9 Catalog No: AG0015D1 MDL No:
Product Description
Catalog Number:
AG0015D1
Chemical Name:
L-Norleucine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenyl ester (9CI)
CAS Number:
121593-77-9
Molecular Formula:
C27H22F5NO4
Molecular Weight:
519.4599
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
InChI:
InChI=1S/C27H22F5NO4/c1-2-3-12-19(26(34)37-25-23(31)21(29)20(28)22(30)24(25)32)33-27(35)36-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,2-3,12-13H2,1H3,(H,33,35)/t19-/m0/s1
InChI Key:
PPORTZOERPWAMY-IBGZPJMESA-N
SMILES:
CCCC[C@@H](C(=O)Oc1c(F)c(F)c(c(c1F)F)F)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
752
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
519.147g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
519.468g/mol
Monoisotopic Mass:
519.147g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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