((5-(5-Ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)acetic acid

Base Information

• Chemical Name: ((5-(5-Ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)acetic acid
• CAS No.: 117627-19-7
• Molecular Formula: C13H19 N2 O9 P
• DSSTox Substance ID: DTXSID60922476
• Wikidata: Q82896001
• ChEMBL ID: CHEMBL3143007
• Mol file: 117627-19-7.mol

Synonyms:117626-81-0;((5-(5-Ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)acetic acid;((5-(5-Ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid;117627-19-7;CHEMBL3143007;DTXSID60922476;{[5-(5-Ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid;1-{5-O-[(Carboxymethyl)(hydroxy)phosphoryl]-2-deoxypentofuranosyl}-5-ethyl-4-hydroxypyrimidin-2(1H)-one;2-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid

Chemical Property of ((5-(5-Ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)acetic acid

Chemical Property:

• XLogP3: -2.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 378.08281719
• Heavy Atom Count: 25
• Complexity: 649

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(CC(=O)O)O)O
• Isomeric SMILES: CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O