Gomisin D

Base Information

• Chemical Name: Gomisin D
• CAS No.: 60546-10-3
• Molecular Formula: C28H34 O10
• Molecular Weight: 530.56
• DSSTox Substance ID: DTXSID10975957
• Wikidata: Q72480793
• Mol file: 60546-10-3.mol

Synonyms:gomisin D

Chemical Property of Gomisin D

Chemical Property:

• Vapor Pressure: 1.77E-20mmHg at 25°C
• Melting Point: 194℃
• Boiling Point: 698.5°C at 760 mmHg
• PKA: 12.47±0.70(Predicted)
• Flash Point: 229.3°C
• PSA: 122.14000
• Density: 1.266±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 3.41510
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 530.21519728
• Heavy Atom Count: 38
• Complexity: 871

Purity/Quality:

95%-98% ^*data from raw suppliers

Gomisin D ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2=CC3=C(C4=C2C5=C(C(=C(C=C5C(C1(C)O)OC(=O)C(C(CO4)C)(C)O)OC)OC)OC)OCO3
• Isomeric SMILES: C[C@H]1CC2=CC3=C(C4=C2C5=C(C(=C(C=C5[C@@H]([C@@]1(C)O)OC(=O)[C@]([C@H](CO4)C)(C)O)OC)OC)OC)OCO3