200,000+ products from a single source!
sales@angenechem.com
126706-34-1 | 2,4-Pyrrolidinedicarboxylic acid, 5-[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]-
CAS No: 126706-34-1 Catalog No: AG000T4H MDL No:
Product Description
Catalog Number:
AG000T4H
Chemical Name:
2,4-Pyrrolidinedicarboxylic acid, 5-[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]-
CAS Number:
126706-34-1
Molecular Formula:
C13H17N2O9P
Molecular Weight:
376.2558
IUPAC Name:
5-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]pyrrolidine-2,4-dicarboxylic acid
InChI:
InChI=1S/C13H17N2O9P/c1-5-11(16)9(6(3-14-5)4-24-25(21,22)23)10-7(12(17)18)2-8(15-10)13(19)20/h3,7-8,10,15-16H,2,4H2,1H3,(H,17,18)(H,19,20)(H2,21,22,23)
InChI Key:
AGPXAGRDCOKQID-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC(NC1c1c(cnc(c1O)C)COP(=O)(O)O)C(=O)O
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.067g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
376.258g/mol
Monoisotopic Mass:
376.067g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
187A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.7
Literature
| Title | Journal |
|---|---|
| Cellular defense against singlet oxygen-induced oxidative damage by cytosolic NADP+-dependent isocitrate dehydrogenase. | Free radical research 20030301 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.