Tetrahydroamethopterin

Base Information

• Chemical Name: Tetrahydroamethopterin
• CAS No.: 4299-28-9
• Molecular Formula: C20H26 N8 O5
• Molecular Weight: 458.47
• ChEMBL ID: CHEMBL3273855
• Mol file: 4299-28-9.mol

Synonyms:tetrahydromethotrexate;tetrahydromethotrexate, (DL)-isomer

Chemical Property of Tetrahydroamethopterin

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 208.82000
• Density: 1.438g/cm³
• LogP: 1.86050
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 458.20261596
• Heavy Atom Count: 33
• Complexity: 704

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CC1CNC2=NC(=NC(=C2N1)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
• Isomeric SMILES: CN(CC1CNC2=NC(=NC(=C2N1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

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