((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid

Base Information

• Chemical Name: ((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid
• CAS No.: 115365-24-7
• Molecular Formula: C13H18 Cl N2 O9 P
• Molecular Weight: 412.7168
• ChEMBL ID: CHEMBL3144443
• DSSTox Substance ID: DTXSID40921689
• Wikidata: Q82894685
• Mol file: 115365-24-7.mol

Synonyms:115365-24-7;((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid;CHEMBL3144443;DTXSID40921689;[[[[1-[5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl]-2-deoxy-Beta-D-erythro-pentofuranos-5-yl]-oxy]-cabonyl]-methyl]phosphonic acid;[2-[[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy]-2-oxo-ethyl]phosphonic acid;5-(2-Chloroethyl)-1-[2-deoxy-5-O-(phosphonoacetyl)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one

Chemical Property of ((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.625g/cm³
• XLogP3: -2.5
• 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:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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