2-Demethylsteffimycin D

Base Information

• Chemical Name: 2-Demethylsteffimycin D
• CAS No.: 132354-18-8
• Molecular Formula: C27H30 O12
• Molecular Weight: 546.52
• DSSTox Substance ID: DTXSID40927641
• Wikidata: Q77376624
• Metabolomics Workbench ID: 113037
• Mol file: 132354-18-8.mol

Synonyms:2-demethylsteffimycin D

Chemical Property of 2-Demethylsteffimycin D

Chemical Property:

• Vapor Pressure: 1.21E-25mmHg at 25°C
• Boiling Point: 780.4°Cat760mmHg
• PKA: 6.34±0.70(Predicted)
• Flash Point: 260.4°C
• PSA: 192.44000
• Density: 1.6g/cm³
• LogP: 0.44020
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 546.17372639
• Heavy Atom Count: 39
• Complexity: 946

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=C(C=C5O)O)(C)O)OC)OC)O)O