CID 16218843

Base Information

• Chemical Name: CID 16218843
• CAS No.: 102029-67-4
• Molecular Formula: C22H29 N6 O17 P3 . 2 Na
• Molecular Weight: 764.4
• European Community (EC) Number: 683-070-0
• DSSTox Substance ID: DTXSID10585050
• Mol file: 102029-67-4.mol

Synonyms:102029-67-4;Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-->5'-ester with 3-acetyl-1-beta-D-ribofuranosylpyridinium, inner salt, disodium salt (9CI);KZDYAZWFKFRMNK-UHFFFAOYSA-O;CID 16218843;DTXSID10585050;PUBCHEM_16218843;[[5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate;sodium

Chemical Property of CID 16218843

Chemical Property:

• PSA: 373.86000
• LogP: -0.33760
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 13
• Exact Mass: 766.07779878
• Heavy Atom Count: 49
• Complexity: 1300

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/22-36/38
• Safety Statements: 24-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C[N+](=CC=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)OP(=O)(O)O)O)O.[Na]