((5-(5-(2-Bromovinyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid

Base Information

• Chemical Name: ((5-(5-(2-Bromovinyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid
• CAS No.: 117707-12-7
• Molecular Formula: C13H16 Br N2 O9 P
• Molecular Weight: 455.1519
• ChEMBL ID: CHEMBL3142989
• Mol file: 117707-12-7.mol

Synonyms:117707-11-6;((5-(5-(2-Bromovinyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid;((5-(5-(2-Bromo-vinyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)acetic acid;117707-12-7;CHEMBL3142989;({5-[5-(2-Bromo-vinyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid;2-[[(2R,3S,5R)-5-[5-[(E)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid

Chemical Property of ((5-(5-(2-Bromovinyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.916g/cm³
• XLogP3: -2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 453.97768
• Heavy Atom Count: 26
• Complexity: 710

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)C=CBr)COP(=O)(CC(=O)O)O)O
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/Br)COP(=O)(CC(=O)O)O)O