Catalog Number
ACM94944704-1
Synonyms
2-Acetyl-5-tetrahydroxybutyl imidazole; 2-Acetyl-4-tetrahydroxybutyl imidazole2-acetyl-4(5)-tetrahydroxybutyl imidazole; 2-ATHBI
IUPAC Name
1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone
Molecular Formula
C9H14N2O5
Canonical SMILES
CC(=O)C1=NC=C(N1)[C@H]([C@@H]([C@@H](CO)O)O)O
InChI
CQSIXFHVGKMLGQ-BWZBUEFSSA-N
InChI Key
InChI=1S/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7-,8-/m1/s1
Boiling Point
613.5±65.0 °C(Predicted)
Density
1.536±0.06 g/cm3(Predicted)
Solubility
DMSO: 2mg/mL, clear
Percent Composition
C 46.95%, H 6.13%, N 12.17%, O 34.75%
Storage Temperature
-20 °C