Presqualene diphosphate

Base Information

• Chemical Name: Presqualene diphosphate
• CAS No.: 29849-75-0
• Molecular Formula: C₃₀H₅₂O₇P₂
• Molecular Weight: 586.686
• ChEMBL ID: CHEMBL1213010
• DSSTox Substance ID: DTXSID201099416
• Metabolomics Workbench ID: 37704
• Nikkaji Number: J897.178A
• Wikidata: Q27088444
• Mol file: 29849-75-0.mol

Synonyms:presqualene diphosphate;presqualene pyrophosphate

Chemical Property of Presqualene diphosphate

Chemical Property:

• Vapor Pressure: 2.04E-19mmHg at 25°C
• Boiling Point: 665.2°Cat760mmHg
• Flash Point: 356.1°C
• PSA: 132.91000
• Density: 1.121g/cm³
• LogP: 9.35710
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 18
• Exact Mass: 586.31882799
• Heavy Atom Count: 39
• Complexity: 1040

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CCCC(=CC1C(C1(C)CCC=C(C)CCC=C(C)C)COP(=O)(O)OP(=O)(O)O)C)C)C
• Isomeric SMILES: CC(=CCC/C(=C/CC/C(=C/[C@H]1[C@@H]([C@@]1(C)CC/C=C(\C)/CCC=C(C)C)COP(=O)(O)OP(=O)(O)O)/C)/C)C