(1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate

Base Information

• Chemical Name: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
• CAS No.: 149714-25-0
• Molecular Formula: C6H19 O27 P7
• Molecular Weight: 740.02
• DSSTox Substance ID: DTXSID00332070
• Nikkaji Number: J1.292.356B,J1.867.387H,J952.332D
• Wikidata: Q27104114
• Metabolomics Workbench ID: 51988
• ChEMBL ID: CHEMBL1241856
• Mol file: 149714-25-0.mol

Synonyms:1-diphosphoinositol pentakisphosphate;1-DPIPK;5-diphosphoinositol pentakisphosphate;diphosphoinositol pentakisphosphate;PP-IP(5)

Chemical Property of (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1246.1°Cat760mmHg
• Flash Point: 707.4°C
• PSA: 515.76000
• Density: 2.45g/cm³
• LogP: -3.01560
• XLogP3: -11.4
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 27
• Rotatable Bond Count: 14
• Exact Mass: 739.8277043
• Heavy Atom Count: 40
• Complexity: 1160

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
• Isomeric SMILES: [C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O