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125043-10-9 | D-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenyl ester (9CI)
CAS No: 125043-10-9 Catalog No: AG000N14 MDL No:
Product Description
Catalog Number:
AG000N14
Chemical Name:
D-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenyl ester (9CI)
CAS Number:
125043-10-9
Molecular Formula:
C26H20F5NO4
Molecular Weight:
505.4333
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
InChI:
InChI=1S/C26H20F5NO4/c1-12(2)23(25(33)36-24-21(30)19(28)18(27)20(29)22(24)31)32-26(34)35-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17,23H,11H2,1-2H3,(H,32,34)/t23-/m1/s1
InChI Key:
TZEGAVSWQUEHAQ-HSZRJFAPSA-N
SMILES:
O=C(N[C@@H](C(=O)Oc1c(F)c(F)c(c(c1F)F)F)C(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
749
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
505.131g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
505.441g/mol
Monoisotopic Mass:
505.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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