Home Carbonyls D-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) 1-(pentafluorophenyl) ester (9CI)

D-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) 1-(pentafluorophenyl) ester (9CI)

CAS No.:
200335-75-7
Catalog Number:
AG002CPD
Molecular Formula:
C29H24F5NO6
Molecular Weight:
577.4960
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002CPD
Chemical Name:
D-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) 1-(pentafluorophenyl) ester (9CI)
CAS Number:
200335-75-7
Molecular Formula:
C29H24F5NO6
Molecular Weight:
577.4960
MDL Number:
MFCD00153374
IUPAC Name:
4-O-tert-butyl 1-O-(2,3,4,5,6-pentafluorophenyl) (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanedioate
InChI:
InChI=1S/C29H24F5NO6/c1-29(2,3)41-20(36)12-19(27(37)40-26-24(33)22(31)21(30)23(32)25(26)34)35-28(38)39-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,35,38)/t19-/m1/s1
InChI Key:
DWYWJUBBXKYAMY-LJQANCHMSA-N
SMILES:
O=C(N[C@@H](C(=O)Oc1c(F)c(F)c(c(c1F)F)F)CC(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
911  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
577.152g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
577.504g/mol
Monoisotopic Mass:
577.152g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9  
Properties