butylene_glycol – 1,2-Butylene glycol

Name
WID butylene_glycol View in model
Name 1,2-Butylene glycol View in model
Traditional name 1,2-butanediol
IUPAC name butane-1,2-diol
Cross references ChEBI: 52682, PubChem: 85096732
 
Classification
Type damaging_agent View in model
 
Structure
Empirical formula (pH 7.5) H10C4O2
SMILES (pH 7.5) CCC(CO)O
Charge (pH 7.5) 0
Is hydrophobic False View in model
Molecular weight (Da) 90.12 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
96.41
pI 5.68
logP -0.270
logD (pH 7.5) -0.270
 
Function
Reaction participant DNA base alkylation (5-hydroxymethyluracil ==> 5'-dihydroxypentyluracil; 1,2-Butylene glycol)
[c]: butylene_glycol + hm5URAdhpURA + H2O
View in model
 
Metadata
Created 2012-10-01 15:06:51
Last updated 2012-10-01 15:11:56