Phosphono-acetic acid (2R,3S,5R)-5-(5-(2-chloroethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester

Base Information

• Chemical Name: Phosphono-acetic acid (2R,3S,5R)-5-(5-(2-chloroethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester
• CAS No.: 115365-39-4
• Molecular Formula: C13H18 Cl N2 O9 P
• Molecular Weight: 412.7168
• ChEMBL ID: CHEMBL3144449
• DSSTox Substance ID: DTXSID40921700
• Wikidata: Q82894705
• Mol file: 115365-39-4.mol

Synonyms:115365-39-4;Phosphono-acetic acid (2R,3S,5R)-5-(5-(2-chloroethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester;CHEMBL3144449;DTXSID40921700;[2-[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-pyrimidin-1-yl]-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-2-oxo-ethyl]phosphonic acid;5-(2-Chloroethyl)-1-[2-deoxy-3-O-(phosphonoacetyl)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one;Phosphono-acetic acid (2R,3S,5R)-5-[5-(2-chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-2-hydroxymethyl-tetrahydro-furan-3-yl ester

Chemical Property of Phosphono-acetic acid (2R,3S,5R)-5-(5-(2-chloroethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.66g/cm³
• XLogP3: -2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 412.0438448
• Heavy Atom Count: 26
• Complexity: 664

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)CCCl)CO)OC(=O)CP(=O)(O)O
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCCl)CO)OC(=O)CP(=O)(O)O