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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