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126266-47-5 | 2,5-Piperazinedione, 3-hydroxy-3,6-dimethyl-, (3R,6R)-rel-
CAS No: 126266-47-5 Catalog No: AG000SGC MDL No:
Product Description
Catalog Number:
AG000SGC
Chemical Name:
2,5-Piperazinedione, 3-hydroxy-3,6-dimethyl-, (3R,6R)-rel-
CAS Number:
126266-47-5
Molecular Formula:
C6H10N2O3
Molecular Weight:
158.1552
IUPAC Name:
(3R,6R)-3-hydroxy-3,6-dimethylpiperazine-2,5-dione
InChI:
InChI=1S/C6H10N2O3/c1-3-4(9)8-6(2,11)5(10)7-3/h3,11H,1-2H3,(H,7,10)(H,8,9)/t3-,6-/m1/s1
InChI Key:
PLXRPOZBZWVXCG-AWFVSMACSA-N
SMILES:
C[C@H]1NC(=O)[C@@](NC1=O)(C)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
158.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
158.157g/mol
Monoisotopic Mass:
158.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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