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Chemical structure of 2-Acetyl-5-tetrahydroxybutyl Imidazole

GC42112

2-Acetyl-5-tetrahydroxybutyl Imidazole

Also known as 1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone

Sphingosine-1-phosphate (S1P) lyase catalyzes the irreversible decomposition of S1P to hexadecanaldehyde and phosphoethanolamine

ChemicalCAS94944-70-4MW230.2FormulaC9H14N2O5
CAS number
94944-70-4
Molecular weight
230.2
Formula
C9H14N2O5
Solubility
DMSO： 2 mg/ml,PBS (pH 7·2)： 0·15 mg/ml
InChIKey
CQSIXFHVGKMLGQ-BWZBUEFSSA-N
Catalogue number
GC42112
Brand
GLPBIO
Computed properties PubChem CID 108037 · XLogP -2.7 · TPSA 127 Ų · H-bond donors 5
XLogP
-2.7
TPSA
127 Ų
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
16

SMILES CC(=O)C1=NC=C(N1)[C@H]([C@@H]([C@@H](CO)O)O)O

Computed descriptors from PubChem (CID 108037), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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