Cytidylic acid CAS#: 63-37-6; ChemWhat Code: 96933

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameCytidylic acid
IUPAC Name[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Molecular StructureCytidylic-acid-CAS-63-37-6
CAS Registry Number 63-37-6
EINECS Number200-556-6
MDL NumberMFCD00006544
Beilstein Registry Number46982
Synonyms[5′]cytidylic acid, 14C-Cytidin-5′-monophosphat, 5′-Cytidinmonophosphorsaeure, Cytidin-monophosphat, Cytidin-5′-phosphat
Molecular FormulaC9H14N3O8P
Molecular Weight323.199
InChIInChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChI KeyIERHLVCPSMICTF-XVFCMESISA-N
Canonical SMILESC1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O
Isomeric SMILESC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
Patent Information
No data available

Physical Data

AppearanceWhite or almost white crystalline powder
Water SolubilitySoluble
Refractive index9.8 ° (C=1, 0.5mol/L Na2HPO4)
pKapK2:4.39(0);pK3:6.62(+1) (25°C)
Melting Point, °C Solvent (Melting Point)
230 – 232
228 – 230
235
240 – 242aq. ethanol
Description (Association (MCS))Solvent (Association (MCS))Temperature (Association (MCS)), °CPartner (Association (MCS))
Association with compoundaq. buffer 23.84lutetium(III)
Association with compoundaq. buffer23.84neodymium(III)
Stability constant of the complex with … H2O, various solvent(s)201,9-bis(6-phenanthridinium)-2,5,8-triazanonane tetrachloride
Solvent (Circular Dichroism) Comment (Circular Dichroism)
H2O, various solvent(s) 200 – 320 nm
H2O210 – 310 nm

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Frequency (NMR Spectroscopy), MHz
Chemical shifts1Hwater-d226.84400
Chemical shifts 13Cwater-d226.84100
Chemical shifts31Pwater-d226.84162
Description (IR Spectroscopy)Solvent (IR Spectroscopy)Comment (IR Spectroscopy)
BandsD2Oconcentration dependence
BandsKBrin the presence of inorganic compounds. Object(s) of Study: pH dependence
BandsKBr1652 – 584 1/cm
Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Comment (UV/VIS Spectroscopy)
Spectrum300 – 700 nm
SpectrumH2O220 – 425 nm

Route of Synthesis (ROS)

Route-of-Synthesis-ROS-of-Cytidylic-acid-CAS-63-37-6
Route-of-Synthesis-ROS-of-Cytidylic-acid-CAS-63-37-6
ConditionsYield
With water; lithium fluoride at 25℃; pH=8.6; Reagent/catalyst; pH-value;

Experimental Procedure
General procedure: 15mM solutions of selected activated nucleotides, ImpN (N = A, U, C, G, dA)2 were dissolved in 1M sodium fluoride (Sigma). The reaction mixtures were allowed to stand at 24 °C for 8-10 days with periodic monitoring by HPLC using a reverse phase column. After completion of the reaction, each product mixture comprised the corresponding phosphorofluoridate together with a small amount of the NMP hydrolysis product. The materials were separated using a semi-preparative reverse phase Alltima C-18, 5 (10 mm x 300 mm)column (Alltech, Grace Davison) under isocratic conditions (88percent of 0.2percent aqueous formic acid (Sigma) and 12percent of 30percent acetonitrile in water with 0.2percent formic acid) at flow rate of mL/minute. The individual samples collected were analyzed by mass spectrometry.
14.2%
85.4%

Safety and Hazards

GHS Hazard StatementsNot Classified
For more detailed information, please visit ECHA C&L website

Other Data

TransportationNot dangerous goods
Under the room temperature and away from light
HS Code294200
StorageUnder the room temperature and away from light
Shelf Life
Market PriceUSD 87/kg
Use Pattern
Cytidylic acid CAS#: 63-37-6 is used as a substrate of uridine monophosphate (UMP)/cytidine monophosphate (CMP) kinase (EC 2.7.4.4) to form CDP which upon phosphorylation to CTP supports DNA and RNA biosynthesis.
Duchenne’s dystrophy in composition with polyunsaturated fatty acid
Multiple Sclerosis in composition with polyunsaturated fatty acid
Parkinson’s disease in composition with polyunsaturated fatty acid
austistic spectrum disorder in composition with polyunsaturated fatty acid
autonomic neuropathy in composition with polyunsaturated fatty acid
cerebral palsy in composition with polyunsaturated fatty acid

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