CID 3086190

Base Information

• Chemical Name: CID 3086190
• CAS No.: 84563-76-8
• Molecular Formula: C23H44N4O17
• Molecular Weight: 648.61206
• DSSTox Substance ID: DTXSID401004849
• Mol file: 84563-76-8.mol

Synonyms:84563-76-8;(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;2-aminopentanedioic acid;SCHEMBL22150999;DTXSID401004849;Glutamic acid--2-amino-2-deoxyhexopyranosyl-(1->4)-2-amino-2-deoxyhexopyranosyl-(1->4)-2-amino-2-deoxyhexopyranose (1/1)

Chemical Property of CID 3086190

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 882.2°C at 760 mmHg
• Flash Point: 487.4°C
• PSA: 386.67000
• LogP: -5.60950
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 11
• Exact Mass: 648.27014595
• Heavy Atom Count: 44
• Complexity: 797

Purity/Quality:

90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(=O)O)C(C(=O)O)N.C(C1C(C(C(C(O1)OC2C(OC(C(C2O)N)OC3C(OC(C(C3O)N)O)CO)CO)N)O)O)O
• Isomeric SMILES: C(CC(=O)O)C(C(=O)O)N.C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)N)O)CO)CO)N)O)O)O