trisodium ({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)(hydrogen phosphonatooxy)phosphinate

• ChemBase ID: 102339
• Molecular Formular: C9H12N2Na3O15P3
• Molecular Mass: 550.086573
• Monoisotopic Mass: 549.91436043
• SMILES: [Na+].[Na+].[Na+].OC1C(O)C(OC1COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])n1ccc(=O)[nH]c1=O
• Canonical SMILES: OC1C(COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])[O-])OC(C1O)n1ccc(=O)[nH]c1=O.[Na+].[Na+].[Na+]
• InChI: InChI=1S/C9H15N2O15P3.3Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18);;;/q;3*+1/p-3
• InChIKey: MMJGIWFJVDOPJF-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trisodium ({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)(hydrogen phosphonatooxy)phosphinate
• IUPAC Traditional name: tripotassium {[5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy(hydrogen phosphonatooxy)phosphinate
• Synonyms: UTP Trisodium Salt; URIDINE-5'-TRIPHOSPHATE TRISODIUM SALT; UTP Disodium; UTP-Na

Database IDs

• CAS Number: 19817-92-6
• EC Number: 243-347-5
• PubChem SID: 162089568
• PubChem CID: 6099529

CALCULATED PROPERTIES

• Acid pKa: 0.8952817
• H Acceptors: 12
• H Donor: 4
• LogD (pH = 5.5): -10.07489
• LogD (pH = 7.4): -10.80498
• Log P: -3.382405
• Molar Refractivity: 81.8192 cm^3
• Polarizability: 34.772614 Å^3
• Polar Surface Area: 267.41 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: > 140°C (dec.)

Safety Information

• Storage Condition: 0°C; -20°C

Product Information

• Purity: 90-95%; 97-99%

DETAILS

MP Biomedicals - 02101217

Trisodium Salt
White amorphous powder
Purity: 97-99%

MP Biomedicals - 02194766

Trisodium Salt
Cell Culture Reagent
White amorphous powder
Purity: 97-99%

MP Biomedicals - 02191230

(UTP-Na) Purity: 90-95% Trisodium Salt