(1S,12S)-3,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.5.3.01,13.02,10.04,8]icosa-2,4(8),9,16-tetraen-15-one

Base Information

• Chemical Name: (1S,12S)-3,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.5.3.01,13.02,10.04,8]icosa-2,4(8),9,16-tetraen-15-one
• CAS No.: 27989-72-6
• Molecular Formula: C20H23 N O5
• Molecular Weight: 357.4
• Mol file: 27989-72-6.mol

Synonyms:NSC 623443

Chemical Property of (1S,12S)-3,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.5.3.01,13.02,10.04,8]icosa-2,4(8),9,16-tetraen-15-one

Chemical Property:

• Vapor Pressure: 6.25E-10mmHg at 25°C
• Melting Point: 149-150 °C
• Boiling Point: 494.8°C at 760 mmHg
• PKA: 7.58±0.40(Predicted)
• Flash Point: 253°C
• PSA: 57.23000
• Density: 1.34g/cm³
• LogP: 2.08870
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 357.15762283
• Heavy Atom Count: 26
• Complexity: 636

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC23C=C(C(=O)CC2C1CC4=CC5=C(C(=C34)OC)OCO5)OC
• Isomeric SMILES: CN1CC[C@@]23C=C(C(=O)CC2[C@@H]1CC4=CC5=C(C(=C34)OC)OCO5)OC