Home Carboxys 3H-Imidazo[4,5-c]pyridine-4,6-dicarboxylicacid, 4-(2-carboxyethyl)-4,5,6,7-tetrahydro-, (4S,6S)-

3H-Imidazo[4,5-c]pyridine-4,6-dicarboxylicacid, 4-(2-carboxyethyl)-4,5,6,7-tetrahydro-, (4S,6S)-

CAS No.:
110342-24-0
Catalog Number:
AG007V70
Molecular Formula:
C11H13N3O6
Molecular Weight:
283.2374
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Product Description
Catalog Number:
AG007V70
Chemical Name:
3H-Imidazo[4,5-c]pyridine-4,6-dicarboxylicacid, 4-(2-carboxyethyl)-4,5,6,7-tetrahydro-, (4S,6S)-
CAS Number:
110342-24-0
Molecular Formula:
C11H13N3O6
Molecular Weight:
283.2374
MDL Number:
MFCD28336943
IUPAC Name:
(4S,6S)-4-(2-carboxyethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,6-dicarboxylic acid
InChI:
InChI=1S/C11H13N3O6/c15-7(16)1-2-11(10(19)20)8-5(12-4-13-8)3-6(14-11)9(17)18/h4,6,14H,1-3H2,(H,12,13)(H,15,16)(H,17,18)(H,19,20)/t6-,11-/m0/s1
InChI Key:
XGCZNSAJOHDWQS-KGFZYKRKSA-N
SMILES:
OC(=O)CC[C@@]1(N[C@@H](Cc2c1[nH]cn2)C(=O)O)C(=O)O
Properties
Complexity:
442  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
283.08g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
283.24g/mol
Monoisotopic Mass:
283.08g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6  
Literature
Title Journal
Shoot regeneration from GUS-transformed tomato (Lycopersicon esculentum) hairy root. Cellular & molecular biology letters 20040101
The complete nucleotide sequence of a plant root-inducing (Ri) plasmid indicates its chimeric structure and evolutionary relationship between tumor-inducing (Ti) and symbiotic (Sym) plasmids in Rhizobiaceae. Journal of molecular biology 20010330
Mikimopine synthase (mis) gene on pRi1724. Gene 20010124
Properties