Cibarian

Base Information

• Chemical Name: Cibarian
• CAS No.: 39797-90-5
• Molecular Formula: C12H18N2O12
• Molecular Weight: 382.2775
• Nikkaji Number: J585.943C
• Wikidata: Q27106167
• Metabolomics Workbench ID: 68055
• Mol file: 39797-90-5.mol

Synonyms:Cibarian;39797-90-5;NSC 279516;beta-D-Glucopyranose, 1,6-bis(3-nitropropanoate);[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate;AC1L2OG1;C12H18N2O12;AR-1L8670;Compound NP-023132;CHEBI:3692;AKOS040737544;C08473;Q27106167;[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-nitropropanoyloxy)tetrahydropyran-2-yl]methyl 3-nitropropanoate

Chemical Property of Cibarian

Chemical Property:

• Vapor Pressure: 3.49E-18mmHg at 25°C
• Boiling Point: 624°Cat760mmHg
• Flash Point: 331.2°C
• PSA: 214.16000
• Density: 1.59g/cm³
• LogP: -1.73960
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 382.08597401
• Heavy Atom Count: 26
• Complexity: 529

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C[N+](=O)[O-])C(=O)OCC1C(C(C(C(O1)OC(=O)CC[N+](=O)[O-])O)O)O
• Isomeric SMILES: C(C[N+](=O)[O-])C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)CC[N+](=O)[O-])O)O)O

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