Rhodexin A

Base Information

• Chemical Name: Rhodexin A
• CAS No.: 545-49-3
• Molecular Formula: C₂₉H₄₄O₉
• Molecular Weight: 536.663
• DSSTox Substance ID: DTXSID301318334
• Nikkaji Number: J14.231J
• Wikidata: Q76100211
• Metabolomics Workbench ID: 35224
• Mol file: 545-49-3.mol

Synonyms:rhodexin A

Chemical Property of Rhodexin A

Chemical Property:

• Vapor Pressure: 1.37E-24mmHg at 25°C
• Melting Point: 263.5-265.5 °C
• Boiling Point: 729.8°Cat760mmHg
• PKA: 13.04±0.70(Predicted)
• Flash Point: 237.3°C
• PSA: 145.91000
• Density: 1.36g/cm³
• LogP: 1.42690
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 536.29853298
• Heavy Atom Count: 38
• Complexity: 985

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3[C@@H](C[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O)O