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Substance Name: Isoxanthopterin
RN: 529-69-1
InChIKey: GLKCOBIIZKYKFN-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H5-N5-O2

Molecular Weight

  • 179.1385
 
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Names and Synonyms

Name of Substance

  • Isoxanthopterin

Synonyms

  • 2-Amino-4,7(1H,8H)-pteridinedione
  • 2-Amino-4,7(3H,8H)-pteridinedione
  • 2-Amino-4,7-dihydroxypteridine
  • EINECS 208-469-5
  • Isoxanthopterin
  • NSC 118090
  • Ranachrome 4

Systematic Names

  • 2-Amino-4,7(1H,8H)-pteridinedione
  • 2-Aminopteridine-4,7-diol
  • 4,7(1H,8H)-Pteridinedione, 2-amino- (9CI)
  • 4,7(3H,8H)-Pteridinedione, 2-amino-

Registry Numbers

CAS Registry Number

  • 529-69-1

System Generated Number

  • 0000529691

Structure Descriptors

InChI

1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)

InChIKey

GLKCOBIIZKYKFN-UHFFFAOYSA-N

Smiles

c1c(=O)[nH]c2c(n1)c(=O)nc([nH]2)N

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.870 (none)   EST
Water Solubility 5 mg/L 20 EXP
Atmospheric OH Rate Constant 9.93E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.