(5'-((N-Triphosphoamino)methyl)adenosyl)homocysteine

Base Information

• Chemical Name: (5'-((N-Triphosphoamino)methyl)adenosyl)homocysteine
• CAS No.: 101249-72-3
• Molecular Formula: C15H25 N6 O14 P3 S
• Molecular Weight: 638.38
• Mol file: 101249-72-3.mol

Synonyms:(5'-((N-triphosphoamino)methyl)adenosyl)homocysteine;(5'-((N-triphosphoamino)methyl)adenosyl)homocysteine, (5'S)-isomer;5-TPMAH;S-(5'(R)-((N-triphosphoamino)methyl)adenosyl)-L-homocysteine

Chemical Property of (5'-((N-Triphosphoamino)methyl)adenosyl)homocysteine

Chemical Property:

• Boiling Point: 1081.5±75.0 °C(Predicted)
• PKA: 0.79±0.10(Predicted)
• Flash Point: 607.9oC
• PSA: 387.95000
• Density: 2.34±0.1 g/cm3(Predicted)
• LogP: -0.37530
• XLogP3: -7.5
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 13
• Exact Mass: 638.03623166
• Heavy Atom Count: 39
• Complexity: 1030

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)C(CP(=O)(O)OP(=O)(O)OP(=O)(O)O)SCCC(C(=O)O)N)O)O)N
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@@H](CP(=O)(O)OP(=O)(O)OP(=O)(O)O)SCC[C@@H](C(=O)O)N)O)O)N

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