Chemical Properties of Pterin-6-carboxylic acid (CAS 948-60-7)

InChI

InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h1H,(H,14,15)(H3,8,9,11,12,13)

InChI Key

QABAUCFGPWONOG-UHFFFAOYSA-N

Formula

C7H5N5O3

SMILES

Nc1nc2ncc(C(=O)O)nc2c(=O)[nH]1

Molecular Weight¹

207.15

CAS

948-60-7

Other Names

• Pterine-6-carboxylic acid
• 2-Amino-4-hydroxypteridine-6-carboxylic acid
• 6-Pteridinecarboxylic acid, 2-amino-1,4-dihydro-4-oxo-
• 2-amino-1,4-dihydro-4-oxopteridine-6-carboxylic acid

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Pterin-6-carboxylic acid.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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