Ethenoadenosine triphosphate-2',3'-dialdehyde

Base Information

• Chemical Name: Ethenoadenosine triphosphate-2',3'-dialdehyde
• CAS No.: 84184-92-9
• Molecular Formula: C12H14 N5 O13 P3
• Molecular Weight: 529.186543
• DSSTox Substance ID: DTXSID90233103
• Wikidata: Q83114450
• Mol file: 84184-92-9.mol

Synonyms:2',3'-dialdehyde etheno-ATP;dial-epsilon ATP;ethenoadenosine triphosphate-2',3'-dialdehyde

Chemical Property of Ethenoadenosine triphosphate-2',3'-dialdehyde

Chemical Property:

• PSA: 280.63000
• Density: 2.21g/cm³
• LogP: -0.29610
• XLogP3: -3.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 12
• Exact Mass: 528.98009651
• Heavy Atom Count: 33
• Complexity: 874

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN2C=NC3=C(C2=N1)N=CN3C(C=O)OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C=O
• Isomeric SMILES: C1=CN2C=NC3=C(C2=N1)N=CN3[C@@H](C=O)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C=O

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