Basic information
- Standard SMILES
O=C(CSCCNCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO)c1ccc([18F])cc1- InChIKey
SXFLYHDEKDBITE-VNRZBHCFSA-N- Molecular formula
- C22H34FNO11S
- Average molar mass
- 538.6 g/mol
- Monoisotopic mass
- 538.18619491
Overview
18F cpd is a residualizing label for proteins
Names & identifiers
- Preferred name
- N-lactitol-S-(fluorophenacyl)cysteamine
- IUPAC
- 1-(4-fluorophenyl)-2-[2-[[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]ethylsulfanyl]ethanone
- English name
- N-lactitol-S-(fluorophenacyl)cysteamine
- Molecular formula
- C22H34FNO11S
- Molecular weight
- 539.5688632
Names & synonyms
NLFPC142154-94-7N-Lactitol-S-(fluorophenacyl)cysteamineRefChem:163633N-Lactitol-S-((18F)fluorophenacyl)cysteamine1-(4-(18F)fluoranylphenyl)-2-[2-[[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]ethylsulfanyl]ethanoneD-Glucitol, 1-deoxy-1-((2-((2-(4-(fluoro-18F)phenyl)-2-oxoethyl)thio)ethyl)amino)-4-O-beta-D-galactopyranosyl-DTXSID409313691-Deoxy-1-{[2-({2-[4-(~18~F)fluorophenyl]-2-oxoethyl}sulfanyl)ethyl]amino}-4-O-hexopyranosylhexitol
Database identifiers
- CAS
142154-94-7- PubChem CID
- 3083351
- DTXSID
DTXSID40931369
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 235 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 15
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 645
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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