Pyridoxal 5'-diphospho-5'-adenosine

Base Information

• Chemical Name: Pyridoxal 5'-diphospho-5'-adenosine
• CAS No.: 4500-99-6
• Molecular Formula: C18H22 N6 O12 P2
• Molecular Weight: 576.35
• UNII: IL00V5Z57E
• DSSTox Substance ID: DTXSID20963320
• Wikidata: Q27280773
• Mol file: 4500-99-6.mol

Synonyms:5'-adenosine-5'-diphosphopyridoxal;adenosine diphosphopyridoxal;ADP-pyridoxal;AP2PL;pyridoxal 5'-diphospho-5'-adenosine;pyridoxal 5'-diphospho-5'-adenosine, disodium salt

Chemical Property of Pyridoxal 5'-diphospho-5'-adenosine

Chemical Property:

• Boiling Point: 972.5°Cat760mmHg
• Flash Point: 541.9°C
• PSA: 126.38000
• Density: 2.07g/cm³
• LogP: -4.89400
• XLogP3: -3.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 10
• Exact Mass: 576.07709415
• Heavy Atom Count: 38
• Complexity: 938

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(C(=C1O)C=O)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O
• Isomeric SMILES: CC1=NC=C(C(=C1O)C=O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H](C(O2)N3C=NC4=C(N=CN=C43)N)O)O