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17833-48-6

17833-48-6 | 6-Pteridinecarboxylic acid, 2-amino-3,4,7,8-tetrahydro-4-oxo-

CAS No: 17833-48-6 Catalog No: AG0025Y7 MDL No:

Product Description

Catalog Number:
AG0025Y7
Chemical Name:
6-Pteridinecarboxylic acid, 2-amino-3,4,7,8-tetrahydro-4-oxo-
CAS Number:
17833-48-6
Molecular Formula:
C7H7N5O3
Molecular Weight:
209.1622
IUPAC Name:
2-amino-4-oxo-7,8-dihydro-3H-pteridine-6-carboxylic acid
InChI:
InChI=1S/C7H7N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h1H2,(H,14,15)(H4,8,9,11,12,13)
InChI Key:
IEFMEURWCRZZJQ-UHFFFAOYSA-N
SMILES:
Nc1nc2NCC(=Nc2c(=O)[nH]1)C(=O)O

Properties

Complexity:
448  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.055g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
209.165g/mol
Monoisotopic Mass:
209.055g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7  

Literature

Title Journal
7,8-Dihydropterin-6-carboxylic acid as light emitter of luminous millipede, Luminodesmus sequoiae. Bioorganic & medicinal chemistry letters 20010423

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