Buadatp

Base Information

• Chemical Name: Buadatp
• CAS No.: 99304-84-4
• Molecular Formula: C20H29 N6 O12 P3
• Molecular Weight: 638.4
• DSSTox Substance ID: DTXSID20912757
• Wikidata: Q82883130
• Mol file: 99304-84-4.mol

Synonyms:(2-para-n-butylanilino)deoxy ATP;4-n-butylanilino dATP;BuAdATP;p-n-butylanilino dATP

Chemical Property of Buadatp

Chemical Property:

• Boiling Point: 967.8°Cat760mmHg
• Flash Point: 539.1°C
• Density: 1.92g/cm³
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 13
• Exact Mass: 638.10563137
• Heavy Atom Count: 41
• Complexity: 1020

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)NC2=NC(=C3C(=N2)N(C=N3)C4CC(C(O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N
• Isomeric SMILES: CCCCC1=CC=C(C=C1)NC2=NC(=C3C(=N2)N(C=N3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N