butylene_glycol – 1,2-Butylene glycol
| Name | ||
|---|---|---|
| WID | butylene_glycol |
|
| Name | 1,2-Butylene glycol |
|
| Traditional name | 1,2-butanediol | |
| IUPAC name | butane-1,2-diol | |
| Cross references | ChEBI: 52682, PubChem: 85096732 | |
| Classification | ||
| Type | damaging_agent |
|
| Structure | ||
| Empirical formula (pH 7.5) | H10C4O2 | |
| SMILES (pH 7.5) | CCC(CO)O | |
| Charge (pH 7.5) | 0 | |
| Is hydrophobic | False |
|
| Molecular weight (Da) | 90.12 |
|
| 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 + hm5URA ⇒ dhpURA + H2O |
|
| Metadata | ||
| Created | 2012-10-01 15:06:51 | |
| Last updated | 2012-10-01 15:11:56 | |
