1-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-5-methyl-pyrimidine-2,4-dione

Base Information

• Chemical Name: 1-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-5-methyl-pyrimidine-2,4-dione
• CAS No.: 126261-64-1
• Molecular Formula: C11H16 N2 O4
• Molecular Weight: 240.2557
• DSSTox Substance ID: DTXSID20925483
• Wikidata: Q82899826
• Mol file: 126261-64-1.mol

Synonyms:126261-64-1;(+/-)-Cyclobut-T;SCHEMBL8536692;DTXSID20925483;(+/-)-9-[(1.beta.,2.alpha.,3.beta.)-2,3-bis(hydroxymethyl)-1-cyclobutyl]thymine;1-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-5-methyl-pyrimidine-2,4-dione;1-[2,3-Bis(hydroxymethyl)cyclobutyl]-4-hydroxy-5-methylpyrimidin-2(1H)-one

Chemical Property of 1-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-5-methyl-pyrimidine-2,4-dione

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.337g/cm³
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 240.11100700
• Heavy Atom Count: 17
• Complexity: 380

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CN(C(=O)NC1=O)C2CC(C2CO)CO
• Isomeric SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H]2CO)CO