(((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl ester

Base Information

• Chemical Name: (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl ester
• CAS No.: 115365-34-9
• Molecular Formula: C15H22 Cl N2 O9 P
• Molecular Weight: 440.7699
• ChEMBL ID: CHEMBL3144446
• DSSTox Substance ID: DTXSID50921695
• Wikidata: Q82894695
• Mol file: 115365-34-9.mol

Synonyms:115365-34-9;(((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl ester;CHEMBL3144446;DTXSID50921695;({(2R,3S,5R)-5-[5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)-acetic acid ethyl ester;[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-pyrimidin-1-yl]-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-(2-ethoxy-2-oxo-ethyl)phosphinic acid;5-(2-Chloroethyl)-1-{2-deoxy-3-O-[(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]pentofuranosyl}-4-hydroxypyrimidin-2(1H)-one

Chemical Property of (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl ester

Chemical Property:

• XLogP3: -1.3
• Hydrogen Bond Donor Count: 3
• 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)CP(=O)(O)OC1CC(OC1CO)N2C=C(C(=O)NC2=O)CCCl
• Isomeric SMILES: CCOC(=O)CP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)CCCl