2',3'-dialdehyde ATP

Base Information

• Chemical Name: 2',3'-dialdehyde ATP
• CAS No.: 54970-91-1
• Molecular Formula: C10H14 N5 O13 P3
• Molecular Weight: 505.17
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70203506
• Nikkaji Number: J413.081B
• Wikidata: Q76309585
• ChEMBL ID: CHEMBL4285222
• Mol file: 54970-91-1.mol

Synonyms:2',3'-dialdehyde ATP;adenosine 5'-triphosphate 2',3',-dialdehyde;ATP dialdehyde;dial-ATP;oATP (oxidized adenosine triphosphate);oxidized ATP;oxo-ATP

Chemical Property of 2',3'-dialdehyde ATP

Chemical Property:

• Vapor Pressure: 5.32E-29mmHg at 25°C
• Boiling Point: 827.4°C at 760 mmHg
• PKA: 0.78±0.50(Predicted)
• Flash Point: 454.2°C
• PSA: 302.24000
• Density: 2.28g/cm³
• LogP: -0.38540
• XLogP3: -5.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 12
• Exact Mass: 504.98009651
• Heavy Atom Count: 31
• Complexity: 796

Purity/Quality:

99% ^*data from raw suppliers

2',3'-DIALDEHYDE ADENOSINE TRIPHOSPHATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C2C(=N1)N(C=N2)C(C=O)OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C=O)N
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@@H](C=O)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C=O)N

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