Methanone, (4-(beta-D-mannopyranosyloxy)phenyl)(4-nitrophenyl)-

Base Information

• Chemical Name: Methanone, (4-(beta-D-mannopyranosyloxy)phenyl)(4-nitrophenyl)-
• CAS No.: 147029-71-8
• Molecular Formula: C19H19 N O9
• Molecular Weight: 405.3555
• DSSTox Substance ID: DTXSID40163567
• Nikkaji Number: J571.354D
• Wikidata: Q83032494
• ChEMBL ID: CHEMBL174145

Synonyms:Methanone, (4-(beta-D-mannopyranosyloxy)phenyl)(4-nitrophenyl)-;(4-(beta-D-Mannopyranosyloxy)phenyl)(4-nitrophenyl)methanone;147029-71-8;C19-H19-N-O9;CHEMBL174145;DTXSID40163567;LS-91293;4-[4-Nitrobenzoyl]phenyl beta-D-mannopyranoside

Chemical Property of Methanone, (4-(beta-D-mannopyranosyloxy)phenyl)(4-nitrophenyl)-

Chemical Property:

• Vapor Pressure: 4.67E-20mmHg at 25°C
• Boiling Point: 691.2°Cat760mmHg
• Flash Point: 371.8°C
• Density: 1.521g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 405.10598118
• Heavy Atom Count: 29
• Complexity: 567

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)[N+](=O)[O-]
• Isomeric SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[N+](=O)[O-]

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