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885275-35-4 | 2,6-Piperazinediaceticacid, 2-[(1,1-dimethylethoxy)methyl] 6-(triphenylmethyl) ester
CAS No: 885275-35-4 Catalog No: AG00471I MDL No:MFCD06796267
Product Description
Catalog Number:
AG00471I
Chemical Name:
2,6-Piperazinediaceticacid, 2-[(1,1-dimethylethoxy)methyl] 6-(triphenylmethyl) ester
CAS Number:
885275-35-4
Molecular Formula:
C32H38N2O5
Molecular Weight:
530.6545
MDL Number:
MFCD06796267
IUPAC Name:
(2-methylpropan-2-yl)oxymethyl 2-[6-(2-oxo-2-trityloxyethyl)piperazin-2-yl]acetate
InChI:
InChI=1S/C32H38N2O5/c1-31(2,3)38-23-37-29(35)19-27-21-33-22-28(34-27)20-30(36)39-32(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-18,27-28,33-34H,19-23H2,1-3H3
InChI Key:
RTKJSCVLWQWGLA-UHFFFAOYSA-N
SMILES:
O=C(OC(c1ccccc1)(c1ccccc1)c1ccccc1)CC1CNCC(N1)CC(=O)OCOC(C)(C)C
Properties
Complexity:
718
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.278g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
530.665g/mol
Monoisotopic Mass:
530.278g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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