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Cytidine 5'-diphosphate trisodium salt

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Name

Cytidine 5'-diphosphate trisodium salt

EINECS 251-990-8
CAS No. 34393-59-4 Density N/A
PSA 252.00000 LogP -0.43320
Solubility Freely soluble in water, insoluble in ethanol, chloroform and ether. Melting Point N/A
Formula C9H12N3Na3O11P2 Boiling Point N/A
Molecular Weight 469.12 Flash Point N/A
Transport Information N/A Appearance White crystalline powder
Safety 22-24/25-37/39-36-26 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 34393-59-4 (Trisodium cytidine 5'-diphosphate) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

34393-59-4;Trisodium cytidine 5'-diphosphate;CYTIDINE-5'-DIPHOSPHATE TRISODIUM SALT;sodium ((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl diphosphate;Cytidine 5'-Diphosphate Trisodium Salt;trisodium;[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate;Cytidine 5'-(trihydrogen diphosphate), trisodium salt;C9H15N3O11P2.3Na;C9-H15-N3-O11-P2.3Na;MFCD00065201;starbld0004842;sodium cytidine diphosphate;5'-CDP 3Na;C9H12N3Na3O11P2;Cytidine diphosphate trisodium salt;Cytidine 5'-Diphosphate sodium Salt;HG1352;AKOS025290405;AC-32149;Cytidine 5'-diphosphoric acid trisodium salt;Cytidine-5'-Diphosphate (CDP), Trisodium Salt;J-700170;Q27895933;CYTIDINE 5'-(TRIHYDROGEN PYROPHOSPHATE), TRISODIUM SALT;CYTIDINE 5'-(TRIHYDROGEN DIPHOSPHATE), SODIUM SALT (1:3);trisodium ({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate

 

Cytidine 5'-diphosphate trisodium salt Specification

The Cytidine5'-(trihydrogen diphosphate), trisodium salt (9CI), with the CAS registry number of 34393-59-4, is also known as Cytidine5'-(trihydrogen pyrophosphate), trisodium salt (8CI) and Cytidine diphosphatetrisodium salt. This chemical's molecular formula is C9H15N3O11P2 and molecular weight is 403.1764. What's more, its systematic name is Cytidine 5'-(trihydrogen diphosphate). Besides, it can be abbreviated as CDP. And it is an ester of pyrophosphoric acid with the nucleoside cytidine. CDP consists of the pyrophosphate group, the pentose sugar ribose, and the nucleobase cytosine.

Physical properties about Cytidine5'-(trihydrogen diphosphate), trisodium salt (9CI) are: (1)ACD/LogP: -4.25; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -8.74; (4)ACD/LogD (pH 7.4): -9.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 14; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 163.51 Å2; (13)Index of Refraction: 1.789; (14)Molar Refractivity: 72.54 cm3; (15)Molar Volume: 171.3 cm3; (16)Surface Tension: 150.8 dyne/cm; (17)Density: 2.35 g/cm3; (18)Flash Point: 417.9 °C; (19)Enthalpy of Vaporization: 127.42 kJ/mol; (20)Boiling Point: 767.4 °C at 760 mmHg; (21)Vapour Pressure: 3.43E-27 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=P(O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N/1C(=O)/N=C(/N)\C=C\1)[C@H](O)[C@@H]2O
(2) InChI: InChI=1/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
(3) InChIKey: ZWIADYZPOWUWEW-XVFCMESIBF

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