N-(4-iodoazidosalicyl)-6-amido-6-deoxyglucopyranose
Basic information
- CAS
98897-10-0- Standard SMILES
[N-]=[N+]=Nc1ccc(C(=O)NC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1[125I]- InChIKey
QTDKPPJNUVDPLN-MJOGRPBISA-N- Molecular formula
- C13H15IN4O7
- Average molar mass
- 464.19 g/mol
- Monoisotopic mass
- 463.9987
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-(4-iodoazidosalicyl)-6-amido-6-deoxyglucopyranose
- IUPAC
- 4-azido-2-hydroxy-3-(125I)iodo-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl](125I)benzamide
- English name
- N-(4-iodoazidosalicyl)-6-amido-6-deoxyglucopyranose
- Molecular formula
- C13H15IN4O7
- Molecular weight
- 465.17627
Names & synonyms
Iasa-glc98897-10-0N-(4-Iodoazidosalicyl)-6-amido-6-deoxyglucoseN-(4-Iodoazidosalicyl)-6-amido-6-deoxyglucopyranoseRefChem:162161DTXSID809130084-azido-2-hydroxy-3-(125I)iodanyl-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]benzamideD-Glucopyranose, 6-((4-azido-2-hydroxy-3-(iodo-125I)benzoyl)amino)-6-deoxy-6-({[4-Azido-2-hydroxy-3-(~125~I)iodophenyl](hydroxy)methylidene}amino)-6-deoxy-D-glucopyranose6-({[4-Azido-2-hydroxy-3-(~125~I)iodophenyl](hydroxy)methylidene}amino)-6-deoxyhexopyranose4-azido-2-hydroxy-3-iodanyl-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]benzamide
Database identifiers
- CAS
98897-10-0- PubChem CID
- 3035797
- DTXSID
DTXSID80913008
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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