[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-ethoxycarbonyl-phosphinic acid

Base Information

• Chemical Name: [(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-ethoxycarbonyl-phosphinic acid
• CAS No.: 115365-36-1
• Molecular Formula: C14H20 Cl N2 O9 P
• Molecular Weight: 426.7434
• ChEMBL ID: CHEMBL3144439
• DSSTox Substance ID: DTXSID70921697
• Wikidata: Q82894700
• Mol file: 115365-36-1.mol

Synonyms:115365-36-1;CHEMBL3144439;DTXSID70921697;(Ethoxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester;[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-ethoxycarbonyl-phosphinic acid;(Ethoxycarbonyl) phosphonic acid 1-[5-(2-chloro-ethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-deoxy-Beta-D-erythro-pentofuranos-5-yl ester;5-(2-Chloroethyl)-1-{2-deoxy-5-O-[(ethoxycarbonyl)(hydroxy)phosphoryl]pentofuranosyl}-4-hydroxypyrimidin-2(1H)-one

Chemical Property of [(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-ethoxycarbonyl-phosphinic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.528g/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)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)CCCl)O
• Isomeric SMILES: CCOC(=O)P(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)CCCl)O