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108466-89-3 | 2,2-Dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-oic acid
CAS No: 108466-89-3 Catalog No: AG0039XU MDL No:MFCD17019374
Product Description
Catalog Number:
AG0039XU
Chemical Name:
2,2-Dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-oic acid
CAS Number:
108466-89-3
Molecular Formula:
C11H21NO6
Molecular Weight:
263.2875
MDL Number:
MFCD17019374
IUPAC Name:
2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid
InChI:
InChI=1S/C11H21NO6/c1-11(2,3)18-10(15)12-4-5-16-6-7-17-8-9(13)14/h4-8H2,1-3H3,(H,12,15)(H,13,14)
InChI Key:
OMBVJVWVXRNDSL-UHFFFAOYSA-N
SMILES:
OC(=O)COCCOCCNC(=O)OC(C)(C)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.29g/mol
Monoisotopic Mass:
263.137g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Adenanthin targets peroxiredoxin I and II to induce differentiation of leukemic cells. | Nature chemical biology 20120408 |
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