CAS No.34393-59-4,Trisodium cytidine 5'-diphosphate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	34393-59-4
Name:	Trisodium cytidine 5'-diphosphate

Formula:	C₉H₁₂N₃Na₃O₁₁P₂
Molecular Weight:	469.12
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
EINECS:	251-990-8
Solubility:	Freely soluble in water, insoluble in ethanol, chloroform and ether.
Appearance:	White crystalline powder
Hazard Symbols:	Xn, Xi
Risk Codes:	20/21/22-36/37/38
Safety:	22-24/25-37/39-36-26
PSA:	252.00000
LogP:	-0.43320

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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