ho5ho6THY – 5-hydroxy-6-hydroxythymine

Name
WID ho5ho6THY View in model
Name 5-hydroxy-6-hydroxythymine View in model
Traditional name 5-hydroxy-5-methyl-1,3-diazinane-2,4-dione
IUPAC name 5-hydroxy-5-methyl-1,3-diazinane-2,4-dione
Cross references CAS: 1123-21-3, PubChem: 24589118
 
Classification
Type modified_nucleobase View in model
 
Structure
Empirical formula (pH 7.5) H8C5N2O3
SMILES (pH 7.5) CC1(CNC(=O)NC1=O)O
Charge (pH 7.5) 0
Is hydrophobic False View in model
Molecular weight (Da) 144.13 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
121.15
pI 2.53
logP -1.50
logD (pH 7.5) -1.50
 
Function
Reaction participant DNA radiation (gamma-ray) induced base oxidation (thymine ==> 5-hydroxy-6-hydroxythymine; hydroxyl radical)
gamma_radiation[e] + H[c] + hydroxyl_radical[c] + THY[c] ⇒ ho5ho6THY[c]
View in model
 
Metadata
Created 2012-10-01 15:07:01
Last updated 2012-10-01 15:12:16