Methanone, (4-((4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)phenyl)(4-nitrophenyl)-

Base Information

• Chemical Name: Methanone, (4-((4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)phenyl)(4-nitrophenyl)-
• CAS No.: 147029-74-1
• Molecular Formula: C25H29 N O14
• Molecular Weight: 567.4961
• DSSTox Substance ID: DTXSID60163569
• Nikkaji Number: J571.356K
• Wikidata: Q76278829

Synonyms:Methanone, (4-((4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)phenyl)(4-nitrophenyl)-;(4-((4-O-alpha-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy)phenyl)(4-nitrophenyl)methanone;147029-74-1;C25-H29-N-O14;DTXSID60163569;C25H29NO14;LS-91266;4-[4-Nitrobenzoyl]phenyl 4-O-(alpha-D-glucopyranosyl)-beta-D-glucopyranoside

Chemical Property of Methanone, (4-((4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)phenyl)(4-nitrophenyl)-

Chemical Property:

• Vapor Pressure: 2.75E-33mmHg at 25°C
• Boiling Point: 881.6°Cat760mmHg
• Flash Point: 487°C
• Density: 1.65g/cm³
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 567.15880460
• Heavy Atom Count: 40
• Complexity: 842

Purity/Quality:

Safty Information:

• Pictogram(s):  
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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)OC4C(C(C(C(O4)CO)O)O)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[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)[N+](=O)[O-]

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