5-Bromo-4-chloro-3-indoxyl myo-inositol-1-phosphate, ammonium salt

Base Information

• Chemical Name: 5-Bromo-4-chloro-3-indoxyl myo-inositol-1-phosphate, ammonium salt
• CAS No.: 212515-11-2
• Molecular Formula: C14H19BrClN2O9P
• Molecular Weight: 505.64
• DSSTox Substance ID: DTXSID20583643
• Mol file: 212515-11-2.mol

Synonyms:5-Bromo-4-chloro-3-indoxyl myo-inositol-1-phosphate, ammonium salt;212515-11-2;azanium;(5-bromo-4-chloro-1H-indol-3-yl) [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate;DTXSID20583643;Ammonium 5-bromo-4-chloro-1H-indol-3-yl ((1S,2S,3R,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl) phosphate;B-7404;Ammonium 5-bromo-4-chloro-1H-indol-3-yl (2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate

Chemical Property of 5-Bromo-4-chloro-3-indoxyl myo-inositol-1-phosphate, ammonium salt

Chemical Property:

• Vapor Pressure: 2.59E-22mmHg at 25°C
• Boiling Point: 729.1°C at 760 mmHg
• Flash Point: 394.7°C
• PSA: 185.75000
• LogP: 0.59020
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 503.97001
• Heavy Atom Count: 28
• Complexity: 567

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Bromo-4-chloro-3-indolyl-myo-inositol 1-phosphate ammonium salt ≥95.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C2=C1NC=C2OP(=O)([O-])OC3C(C(C(C(C3O)O)O)O)O)Cl)Br.[NH4+]
• Isomeric SMILES: C1=CC(=C(C2=C1NC=C2OP(=O)([O-])OC3[C@@H]([C@H](C([C@H]([C@H]3O)O)O)O)O)Cl)Br.[NH4+]