(Ethoxycarbonyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-3-yl ester

Base Information

• Chemical Name: (Ethoxycarbonyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-3-yl ester
• CAS No.: 115365-37-2
• Molecular Formula: C14H20 Cl N2 O9 P
• Molecular Weight: 426.7434
• ChEMBL ID: CHEMBL3144436
• DSSTox Substance ID: DTXSID30921698
• Wikidata: Q82894702
• Mol file: 115365-37-2.mol

Synonyms:115365-37-2;(Ethoxycarbonyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-3-yl ester;(Ethoxycarbonyl)phosphonic acid 1-[5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-deoxy-Beta-D-erythro-pentofuranos-3-yl ester;CHEMBL3144436;DTXSID30921698;[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-pyrimidin-1-yl]-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-ethoxycarbonyl-phosphinic acid;5-(2-Chloroethyl)-1-{2-deoxy-3-O-[(ethoxycarbonyl)(hydroxy)phosphoryl]pentofuranosyl}-4-hydroxypyrimidin-2(1H)-one

Chemical Property of (Ethoxycarbonyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-3-yl ester

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.56g/cm³
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 426.0594949
• Heavy Atom Count: 27
• Complexity: 686

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)P(=O)(O)OC1CC(OC1CO)N2C=C(C(=O)NC2=O)CCCl
• Isomeric SMILES: CCOC(=O)P(=O)(O)O[C@H]1C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)CCCl