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Home > Indoles and Oxindole > 126414-90-2
126414-90-2 | Glutamic acid, 4-hydroxy-4-(1H-indol-3-ylmethyl)-
CAS No: 126414-90-2 Catalog No: AG000SR5 MDL No:
Product Description
Catalog Number:
AG000SR5
Chemical Name:
Glutamic acid, 4-hydroxy-4-(1H-indol-3-ylmethyl)-
CAS Number:
126414-90-2
Molecular Formula:
C14H16N2O5
Molecular Weight:
292.2872
IUPAC Name:
4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acid
InChI:
InChI=1S/C14H16N2O5/c15-10(12(17)18)6-14(21,13(19)20)5-8-7-16-11-4-2-1-3-9(8)11/h1-4,7,10,16,21H,5-6,15H2,(H,17,18)(H,19,20)
InChI Key:
RMLYXMMBIZLGAQ-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](CC(C(=O)O)(Cc1c[nH]c2c1cccc2)O)N
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
292.291g/mol
Monoisotopic Mass:
292.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
Literature
| Title | Journal |
|---|---|
| The sweetness concentration-response of r,r-monatin, a naturally occurring high-potency sweetener. | Journal of food science 20121001 |
| A 90-day oral (dietary) toxicity study of the 2R,4R-isomer of monatin salt in Sprague-Dawley rats. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20111201 |
| Stereoselective syntheses of 4-hydroxy 4-substituted glutamic acids. | The Journal of organic chemistry 20050610 |
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