Adenosine-N(6)-methyl-propylthioether-N-pyridoxamine

Base Information

• Chemical Name: Adenosine-N(6)-methyl-propylthioether-N-pyridoxamine
• CAS No.: 125162-97-2
• Molecular Formula: C22H31 N7 O6 S
• Molecular Weight: 521.59
• DSSTox Substance ID: DTXSID90154682
• Wikidata: Q83021979

Synonyms:adenosine-N(6)-methyl-propylthioether-N-pyridoxamine;AMPTEP

Chemical Property of Adenosine-N(6)-methyl-propylthioether-N-pyridoxamine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 942.1°C at 760 mmHg
• Flash Point: 523.6°C
• PSA: 216.23000
• Density: 1.64g/cm³
• LogP: 0.08550
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 12
• Exact Mass: 521.20565291
• Heavy Atom Count: 36
• Complexity: 674

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(C(=C1O)CNCCCSCNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O)CO
• Isomeric SMILES: CC1=NC=C(C(=C1O)CNCCCSCNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)CO

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