Mersyndol

Base Information

• Chemical Name: Mersyndol
• CAS No.: 100216-57-7
• Molecular Formula: C47H61N4O14P
• Molecular Weight: 936.979401
• Mol file: 100216-57-7.mol

Synonyms:mersyndol

Chemical Property of Mersyndol

Chemical Property:

• Vapor Pressure: 2.47E-09mmHg at 25°C
• Boiling Point: 462°Cat760mmHg
• Flash Point: 233.2°C
• PSA: 282.28000
• Density: g/cm³
• LogP: 5.36960
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 11
• Exact Mass: 936.39218963
• Heavy Atom Count: 66
• Complexity: 1070

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)O.CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.C(CC(=O)O)C(=O)O.OP(=O)(O)O
• Isomeric SMILES: CC(=O)NC1=CC=C(C=C1)O.CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.C(CC(=O)O)C(=O)O.OP(=O)(O)O