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

Base Information

• Chemical Name: (Hydroxy-(3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy)-phosphoryl)-acetic acid
• CAS No.: 117627-22-2
• Molecular Formula: C12H17 N2 O9 P
• Molecular Weight: 364.2451
• DSSTox Substance ID: DTXSID60922491
• Wikidata: Q82896028
• ChEMBL ID: CHEMBL3143000
• Mol file: 117627-22-2.mol

Synonyms:117627-22-2;(Hydroxy-(3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy)-phosphoryl)-acetic acid;2-(Hydroxy(((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methoxy)phosphoryl)acetic acid;{Hydroxy-[3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy]-phosphoryl}-acetic acid;CHEMBL3143000;SCHEMBL11687715;DTXSID60922491;1-{5-O-[(Carboxymethyl)(hydroxy)phosphoryl]-2-deoxypentofuranosyl}-4-hydroxy-5-methylpyrimidin-2(1H)-one;2-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]acetic acid

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

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.619g/cm³
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 364.06716712
• Heavy Atom Count: 24
• Complexity: 634

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(CC(=O)O)O)O
• Isomeric SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O