Corollin

Base Information

• Chemical Name: Corollin
• CAS No.: 63461-31-4
• Deprecated CAS: 1014696-33-3
• Molecular Formula: C15H21N3O15
• Molecular Weight: 531.33654
• DSSTox Substance ID: DTXSID10979697
• Nikkaji Number: J18.033E
• Wikidata: Q82965410
• Mol file: 63461-31-4.mol

Synonyms:Corollin;63461-31-4;[(2R,3R,4S,5R,6S)-3,6-dihydroxy-4,5-bis(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate;alpha-D-Glucopyranose, 2,3,6-tris(3-nitropropanoate);DTXSID10979697;AKOS032962765;AKOS040762955;2,3,6-Tris-O-(3-nitropropanoyl)hexopyranose

Chemical Property of Corollin

Chemical Property:

• Vapor Pressure: 7.28E-24mmHg at 25°C
• Boiling Point: 718.8°C at 760 mmHg
• PKA: 7.58±0.29(Predicted)
• Flash Point: 388.5°C
• PSA: 266.05000
• Density: 1.58g/cm³
• LogP: -0.99870
• XLogP3: -2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 13
• Exact Mass: 483.09726697
• Heavy Atom Count: 33
• Complexity: 742

Purity/Quality:

98%Min ^*data from raw suppliers

Corollin 95+% ^*data from reagent 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-])OC(=O)CC[N+](=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)O)OC(=O)CC[N+](=O)[O-])OC(=O)CC[N+](=O)[O-])O