CID 11969566

Base Information

• Chemical Name: CID 11969566
• CAS No.: 78432-78-7
• Molecular Formula: C₃₁H₃₈O₁₂
• Molecular Weight: 602.636
• NSC Number: 330754
• DSSTox Substance ID: DTXSID60999764
• Mol file: 78432-78-7.mol

Synonyms:19-hydroxy-baccatin III;19-hydroxybaccatin III

Chemical Property of CID 11969566

Chemical Property:

• Vapor Pressure: 9.2E-24mmHg at 25°C
• Melting Point: 173-175 °C(Solv: ethanol (64-17-5))
• Boiling Point: 752.1°C at 760 mmHg
• PKA: 12.66±0.70(Predicted)
• Flash Point: 239.9°C
• PSA: 186.12000
• Density: 1.43g/cm³
• LogP: 0.62500
• Storage Temp.: -20°C Freezer
• Solubility.: Acetone (Slightly), Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 602.23632664
• Heavy Atom Count: 43
• Complexity: 1220

Purity/Quality:

99% ^*data from raw suppliers

19-HydroxybaccatinIII 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)CO)OC(=O)C
• Isomeric SMILES: CC1=C2[C@@H](C(=O)[C@]3([C@@H](C[C@H]4[C@@](C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)CO)OC(=O)C
• Uses: 19-Hydroxybaccatin III is a taxane diterpenoid that has been isolated from Taiwanese Taxus mairei.