[(2R,3S,5R,6S)-3,4,6-trihydroxy-5-(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate

Base Information

• Chemical Name: [(2R,3S,5R,6S)-3,4,6-trihydroxy-5-(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate
• CAS No.: 63505-68-0
• Molecular Formula: C12H18N2O12
• Molecular Weight: 382.2775
• Mol file: 63505-68-0.mol

Synonyms:63505-68-0;NSC 279514

Chemical Property of [(2R,3S,5R,6S)-3,4,6-trihydroxy-5-(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate

Chemical Property:

• Vapor Pressure: 9.39E-19mmHg at 25°C
• Boiling Point: 634.3°Cat760mmHg
• Flash Point: 337.4°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):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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