200,000+ products from a single source!
sales@angenechem.com
1246651-90-0 | Pentanedioic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 1-(1,1-dimethylethyl) ester, (3S)-
CAS No: 1246651-90-0 Catalog No: AG000MKL MDL No:MFCD04974452
Product Description
Catalog Number:
AG000MKL
Chemical Name:
Pentanedioic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 1-(1,1-dimethylethyl) ester, (3S)-
CAS Number:
1246651-90-0
Molecular Formula:
C24H26NO6-
Molecular Weight:
424.4663
MDL Number:
MFCD04974452
IUPAC Name:
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
InChI:
InChI=1S/C24H27NO6/c1-24(2,3)31-22(28)13-15(12-21(26)27)25-23(29)30-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20H,12-14H2,1-3H3,(H,25,29)(H,26,27)/t15-/m0/s1
InChI Key:
XXXSUGLINJXRGT-HNNXBMFYSA-N
SMILES:
O=C(N[C@H](CC(=O)OC(C)(C)C)CC(=O)[O-])OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
635
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
425.184g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
425.481g/mol
Monoisotopic Mass:
425.184g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.