Phorbol-12,13-dipropionate

Base Information

• Chemical Name: Phorbol-12,13-dipropionate
• CAS No.: 51821-33-1
• Molecular Formula: C26H36 O8
• Molecular Weight: 476.56
• DSSTox Substance ID: DTXSID50199776
• Nikkaji Number: J328.370D
• Mol file: 51821-33-1.mol

Synonyms:phorbol-12,13-dipropionate

Chemical Property of Phorbol-12,13-dipropionate

Chemical Property:

• Vapor Pressure: 3.88E-17mmHg at 25°C
• Boiling Point: 604.5°C at 760 mmHg
• Flash Point: 197.3°C
• PSA: 130.36000
• Density: 1.3g/cm³
• LogP: 1.85190
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 476.24101810
• Heavy Atom Count: 34
• Complexity: 995

Purity/Quality:

PHORBOL-12,13-DIPROPIONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)CC)O)C
• Isomeric SMILES: CCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)CC)O)C