200,000+ products from a single source!
sales@angenechem.com
209593-18-0 | 1,2,4-Piperazinetricarboxylic acid, 1-(1,1-dimethylethyl) 4-(9H-fluoren-9-ylmethyl) ester, (2R)-
CAS No: 209593-18-0 Catalog No: AG002KB9 MDL No:MFCD02179102
Product Description
Catalog Number:
AG002KB9
Chemical Name:
1,2,4-Piperazinetricarboxylic acid, 1-(1,1-dimethylethyl) 4-(9H-fluoren-9-ylmethyl) ester, (2R)-
CAS Number:
209593-18-0
Molecular Formula:
C25H27N2O6-
Molecular Weight:
451.4917
MDL Number:
MFCD02179102
IUPAC Name:
(2R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
InChI:
InChI=1S/C25H28N2O6/c1-25(2,3)33-24(31)27-13-12-26(14-21(27)22(28)29)23(30)32-15-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20-21H,12-15H2,1-3H3,(H,28,29)/t21-/m1/s1
InChI Key:
ZVHNNCSUTNWKFC-OAQYLSRUSA-N
SMILES:
[O-]C(=O)[C@H]1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
728
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
452.195g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
452.507g/mol
Monoisotopic Mass:
452.195g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.