1-(2-Amino-7,8-dihydroxy-4-oxo-3,4a,7,8a-tetrahydropteridin-6-yl)propane-1,2-dione

HCID 26
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Basic information

Standard SMILES
CC(=O)C(=O)C1=NC2C(=O)NC(N)=NC2N(O)C1O
InChIKey
FNUPJNCDWIHIRQ-UHFFFAOYSA-N
Molecular formula
C9H11N5O5
Average molar mass
269.21 g/mol
Monoisotopic mass
269.07601847

Names & identifiers

Preferred name
1-(2-Amino-7,8-dihydroxy-4-oxo-3,4a,7,8a-tetrahydropteridin-6-yl)propane-1,2-dione
IUPAC
1-(2-amino-7,8-dihydroxy-4-oxo-3,4a,7,8a-tetrahydropteridin-6-yl)propane-1,2-dione

Database identifiers

PubChem CID
26

Properties

Computed structural properties

XLogP
-2.7
Topological polar surface area
158 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
2
Heavy atoms
19

Related reactions

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