sodium 6-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-7-hydroxy-2-oxo-hexahydro-1,3,5,2λ5-furo[3,2-d][1,3,2λ5]dioxaphosphinin-2-olate

• ChemBase ID: 131781
• Molecular Formular: C9H10N2NaO8P
• Molecular Mass: 328.147831
• Monoisotopic Mass: 328.0072462
• SMILES: c1cn(c(=O)[nH]c1=O)C1C(C2C(O1)COP(=O)(O2)[O-])O.[Na+]
• Canonical SMILES: OC1C2OP(=O)([O-])OCC2OC1n1ccc(=O)[nH]c1=O.[Na+]
• InChI: InChI=1S/C9H11N2O8P.Na/c12-5-1-2-11(9(14)10-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7;/h1-2,4,6-8,13H,3H2,(H,15,16)(H,10,12,14);/q;+1/p-1
• InChIKey: APYWIKXPIFYSBG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 6-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-7-hydroxy-2-oxo-hexahydro-1,3,5,2λ^5-furo[3,2-d][1,3,2λ^5]dioxaphosphinin-2-olate
• IUPAC Traditional name: sodium 6-(2,4-dioxo-3H-pyrimidin-1-yl)-7-hydroxy-2-oxo-tetrahydro-4H-1,3,5,2λ^5-furo[3,2-d][1,3,2λ^5]dioxaphosphinin-2-olate
• Synonyms: Uridine 3′:5′-cyclic monophosphate sodium salt

Database IDs

• CAS Number: 56632-58-7
• EC Number: 260-295-9
• MDL Number: MFCD00134914
• PubChem SID: 162226058; 24900635
• PubChem CID: 71308472

CALCULATED PROPERTIES

• Acid pKa: 1.832829
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -3.9971063
• LogD (pH = 7.4): -4.020532
• Log P: -1.6422703
• Molar Refractivity: 58.5378 cm^3
• Polarizability: 24.200571 Å^3
• Polar Surface Area: 137.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ~98%