disodium [(2R,3S,4R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphonato]oxy}phosphonate

• ChemBase ID: 133851
• Molecular Formular: C15H22N2Na2O17P2
• Molecular Mass: 610.265442
• Monoisotopic Mass: 610.01890908
• SMILES: c1cn(c(=O)[nH]c1=O)C1[C@@H]([C@@H]([C@H](O1)COP(=O)([O-])OP(=O)([O-])OC1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O.[Na+].[Na+]
• Canonical SMILES: OC[C@H]1OC(OP(=O)(OP(=O)(OC[C@H]2OC([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)[O-])[O-])[C@@H]([C@H]([C@H]1O)O)O.[Na+].[Na+]
• InChI: InChI=1S/C15H24N2O17P2.2Na/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25;;/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25);;/q;2*+1/p-2/t5-,6-,8+,9-,10+,11-,12-,13?,14?;;/m1../s1
• InChIKey: PKJQEQVCYGYYMM-OUJOOSCPSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium [(2R,3S,4R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphonato]oxy}phosphonate
• IUPAC Traditional name: disodium [(2R,3S,4R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphonato]oxyphosphonate
• Synonyms: Uridine-diphosphate-galactose disodium salt; Uridine[5’]diphospho[1]-α-D-galactopyranose disodium salt; UDP-Gal; UDP-galactose; Uridine 5′-diphosphogalactose disodium salt

Database IDs

• CAS Number: 137868-52-1
• MDL Number: MFCD00077895
• Beilstein Number: 5374254
• PubChem SID: 162228128; 24900647; 24889987
• PubChem CID: 16218791

CALCULATED PROPERTIES

• Acid pKa: 1.7326003
• H Acceptors: 14
• H Donor: 7
• LogD (pH = 5.5): -9.414037
• LogD (pH = 7.4): -9.745448
• Log P: -4.9966083
• Molar Refractivity: 104.2124 cm^3
• Polarizability: 44.02095 Å^3
• Polar Surface Area: 297.2 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: H2O: soluble50 mg/mL, clear, colorless

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Purity: ≥97.0%; ≥98.0% (HPLC)
• Impurities: ≤5% solvent (ethanol); ≤6% water
• Empirical Formula (Hill Notation): C15H22N2Na2O17P2

DETAILS

Sigma Aldrich - 94333

Application
Uridine 5dATP-diphosphogalactose (UDP-Gal) is a sugar-nucleotide substrate of galactosyltransferase(s) involved in the addition of galatose (galactosylation) molecules to N-linked and O-linked oligosaccharides and glycerolipids. UDP-Gal and its analogues are used to study the distribution, specificity and kinetics of galactosyltransferase(s).
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 94333.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Sigma Aldrich - U4500

包装
10 mg in autosmp vl