cis-Rubixanthin

Base Information

• Chemical Name: cis-Rubixanthin
• CAS No.: 29558-16-5
• Molecular Formula: C40H56 O
• Molecular Weight: 552.87204
• European Community (EC) Number: 616-727-7
• DSSTox Substance ID: DTXSID801317143
• Mol file: 29558-16-5.mol

Synonyms:cis-Rubixanthin;29558-16-5;Hydroxytorulene;RUBIXANTHIN(P);3-hydroxy-gamma-carotene;SCHEMBL2510530;DTXSID801317143;4-((1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl)-3,5,5-trimethylcyclohex-3-enol;79-75-4

Chemical Property of cis-Rubixanthin

Chemical Property:

• Vapor Pressure: 9.09E-22mmHg at 25°C
• Boiling Point: 685.7°C at 760 mmHg
• Flash Point: 295.5°C
• PSA: 20.23000
• Density: 0.946g/cm³
• LogP: 11.74270
• XLogP3: 13.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 552.433116406
• Heavy Atom Count: 41
• Complexity: 1220

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C
• Isomeric SMILES: CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C