6,3'-p-Dihydroxypaclitaxel

Base Information

• Chemical Name: 6,3'-p-Dihydroxypaclitaxel
• CAS No.: 157230-10-9
• Molecular Formula: C47H51NO16
• Molecular Weight: 885.9
• Nikkaji Number: J631.876B
• Mol file: 157230-10-9.mol

Synonyms:6,3'-p-dihydroxy-paclitaxel;6,3'-p-dihydroxypaclitaxel

Chemical Property of 6,3'-p-Dihydroxypaclitaxel

Chemical Property:

• Melting Point: 191-194°C
• Boiling Point: 1011.2°Cat760mmHg
• Flash Point: 565.4°C
• PSA: 265.24000
• Density: 1.46g/cm³
• LogP: 2.98690
• Storage Temp.: Hygroscopic, -20?C Freezer, Under Inert Atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 14
• Exact Mass: 885.32078454
• Heavy Atom Count: 64
• Complexity: 1860

Purity/Quality:

99% ^*data from raw suppliers

6α,3''-p-DihydroxyPaclitaxel ^*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(C(C(C2(C)C)(CC1OC(=O)C(C(C4=CC=C(C=C4)O)NC(=O)C5=CC=CC=C5)O)O)OC(=O)C6=CC=CC=C6)C7(COC7C(C3O)O)OC(=O)C)C)OC(=O)C
• Isomeric SMILES: CC1=C2[C@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C4=CC=C(C=C4)O)NC(=O)C5=CC=CC=C5)O)O)OC(=O)C6=CC=CC=C6)[C@@]7(CO[C@@H]7[C@H]([C@@H]3O)O)OC(=O)C)C)OC(=O)C
• Uses: The human liver metabοlite of Paclitaxel. Antitumor agent. The human liver metabοlite of Paclitaxel. Antitumor agen