Rhizoxin

Base Information

• Chemical Name: Rhizoxin
• CAS No.: 90996-54-6
• Molecular Formula: C35H47 N O9
• Molecular Weight: 625.75
• UNII: C1V1Y784E4
• DSSTox Substance ID: DTXSID20897515
• Wikipedia: Rhizoxin
• Wikidata: Q10861060
• NCI Thesaurus Code: C1218
• Metabolomics Workbench ID: 66010
• ChEMBL ID: CHEMBL379989
• Mol file: 90996-54-6.mol

Synonyms:rhizoxin;WF 1360B;WF 1360C;WF 1360E;WF 1360F;WF-1360;WF1360

Chemical Property of Rhizoxin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 131-135°
• Refractive Index: 1.6630 (estimate)
• Boiling Point: 799.7°Cat760mmHg
• Flash Point: 437.5°C
• PSA: 133.15000
• Density: 1.165g/cm³
• LogP: 5.04540
• Storage Temp.: ?20°C
• Water Solubility.: 12mg/L(25 oC)
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 625.32508208
• Heavy Atom Count: 45
• Complexity: 1210

Purity/Quality:

99% ^*data from raw suppliers

RHIZOXIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C=CC2C(O2)(C(CC(OC(=O)C3C(O3)CC4CC1OC(=O)C4)C(C)C(C(=CC=CC(=CC5=COC(=N5)C)C)C)OC)O)C
• Isomeric SMILES: C[C@@H]1/C=C/[C@@H]2[C@](O2)([C@H](C[C@H](OC(=O)[C@H]3[C@@H](O3)C[C@@H]4C[C@H]1OC(=O)C4)[C@H](C)[C@H](/C(=C/C=C/C(=C/C5=COC(=N5)C)/C)/C)OC)O)C

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