2,5-Anhydro-1-deoxy-1-phosphonohexitol-6-phosphate

Base Information

• Chemical Name: 2,5-Anhydro-1-deoxy-1-phosphonohexitol-6-phosphate
• CAS No.: 102292-66-0
• Molecular Formula: C6H14 O10 P2
• Molecular Weight: 308.12
• DSSTox Substance ID: DTXSID30144880
• Wikidata: Q83009163
• Mol file: 102292-66-0.mol

Synonyms:2,5-ADPHP;2,5-anhydro-1-deoxy-1-phosphonohexitol-6-phosphate;gluco-2,5-anhydro-1-deoxy-1-phosphonohexitol-6-phosphate;manno-2,5-anhydro-1-deoxy-1-phosphonohexitol-6-phosphate

Chemical Property of 2,5-Anhydro-1-deoxy-1-phosphonohexitol-6-phosphate

Chemical Property:

• Vapor Pressure: 6.52E-24mmHg at 25°C
• Boiling Point: 719.6°Cat760mmHg
• Flash Point: 389°C
• PSA: 193.60000
• Density: 1.919g/cm³
• LogP: -2.23740
• XLogP3: -4.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 308.00622063
• Heavy Atom Count: 18
• Complexity: 373

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1C(C(C(O1)CP(=O)(O)O)O)O)OP(=O)(O)O
• Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H](O1)CP(=O)(O)O)O)O)OP(=O)(O)O