[(2R,3S,4R,5R)-5-[2-[[(E)-but-2-enoyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Base Information

• Chemical Name: [(2R,3S,4R,5R)-5-[2-[[(E)-but-2-enoyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
• CAS No.: 52246-50-1
• Molecular Formula: C14H18 N5 O8 P
• Molecular Weight: 415.3
• Mol file: 52246-50-1.mol

Synonyms:monobutyryl cyclic GMP;monobutyryl cyclic GMP, disodium salt;monobutyryl cyclic GMP, monosodium salt;N(2)-monobutyryl guanosine-3',5'-cyclic monophosphate;N-monobutyryl cGMP

Chemical Property of [(2R,3S,4R,5R)-5-[2-[[(E)-but-2-enoyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 202.45000
• Density: 1.9g/cm³
• LogP: -0.28110
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 415.08929955
• Heavy Atom Count: 28
• Complexity: 647

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC(=O)NC1=NC=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O
• Isomeric SMILES: C/C=C/C(=O)NC1=NC=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O