(Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-iodo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester

Base Information

• Chemical Name: (Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-iodo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester
• CAS No.: 115365-23-6
• Molecular Formula: C13H18 I N2 O9 P
• Molecular Weight: 504.1683
• ChEMBL ID: CHEMBL3144444
• DSSTox Substance ID: DTXSID80921688
• Wikidata: Q82894684
• Mol file: 115365-23-6.mol

Synonyms:115365-23-6;(Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-iodo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester;CHEMBL3144444;DTXSID80921688;[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 2-dimethoxyphosphorylacetate;1-{2-Deoxy-5-O-[(dimethoxyphosphoryl)acetyl]pentofuranosyl}-4-hydroxy-5-iodopyrimidin-2(1H)-one

Chemical Property of (Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-iodo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester

Chemical Property:

• XLogP3: -1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 503.97946
• Heavy Atom Count: 26
• Complexity: 662

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=O)(CC(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)I)O)OC
• Isomeric SMILES: COP(=O)(CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)I)O)OC