(((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide

Base Information

• Chemical Name: (((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide
• CAS No.: 115365-20-3
• Molecular Formula: C14H20 I N2 O9 P
• Molecular Weight: 518.1948
• ChEMBL ID: CHEMBL3144433
• DSSTox Substance ID: DTXSID00921685
• Mol file: 115365-20-3.mol

Synonyms:115365-20-3;(((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide;CHEMBL3144433;DTXSID00921685;[[[1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-Beta-D-erythro-pentofuranos-5-yl]oxy]methoxyphosphinyl]-acetic acid ethyl ester oxide;1-{2-Deoxy-5-O-[(2-ethoxy-2-oxoethyl)(methoxy)phosphoryl]pentofuranosyl}-4-hydroxy-5-iodopyrimidin-2(1H)-one;ethyl 2-[[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-methoxy-phosphoryl]acetate

Chemical Property of (((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide

Chemical Property:

• XLogP3: -1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 517.99511
• Heavy Atom Count: 27
• Complexity: 686

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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