((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide

Base Information

• Chemical Name: ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide
• CAS No.: 115365-16-7
• Molecular Formula: C15H22 Cl N2 O9 P
• Molecular Weight: 440.7699
• ChEMBL ID: CHEMBL3144453
• DSSTox Substance ID: DTXSID20921682
• Mol file: 115365-16-7.mol

Synonyms:115365-16-7;((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide;CHEMBL3144453;DTXSID20921682;[[1-[5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl]-2-deoxy-Beta-D-erythro-pentofuranos-5-yl]oxy]methoxyphosphine-carboxylic acid ethyl ester oxide;5-(2-Chloroethyl)-1-{2-deoxy-5-O-[(ethoxycarbonyl)(methoxy)phosphoryl]pentofuranosyl}-4-hydroxypyrimidin-2(1H)-one;ethyl [[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-methoxy-phosphoryl]formate

Chemical Property of ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide

Chemical Property:

• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 440.0751450
• Heavy Atom Count: 28
• Complexity: 701

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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