5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine

Base Information

• Chemical Name: 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine
• CAS No.: 10547-46-3
• Molecular Formula: C12H18 N5 O7 P
• Nikkaji Number: J1.463.975F
• Mol file: 10547-46-3.mol

Synonyms:Monoethyl 5'-adenylate;5'-Adenylic acid, monoethyl ester;5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine;10547-46-3;WTA;5'-Adenylic acid ethyl ester

Chemical Property of 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine

Chemical Property:

• XLogP3: -2.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 375.09438493
• Heavy Atom Count: 25
• Complexity: 516

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O
• Isomeric SMILES: CCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O