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CAS No.: | 87818-06-2 |
---|---|
Name: | 5-Fluoro-6-iodouridine |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C9H10FIN2O6 |
Molecular Weight: | 388.091 |
Synonyms: | 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-6-iodopyrimidine-2,4-dione; |
Density: | 2.31 g/cm3 |
PSA: | 125.04000 |
LogP: | -1.69590 |
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The 5-Fluoro-6-iodouridine, with CAS registry number 87818-06-2, has the systematic name of 5-fluoro-6-iodouridine. Besides this, it is also called uridine, 5-fluoro-6-iodo-. And the chemical formula of this chemical is C9H10FIN2O6.
Physical properties of 5-Fluoro-6-iodouridine: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.12; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 23.17; (7)ACD/KOC (pH 7.4): 1.22; (8)#H bond acceptors: 8; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 77.54 Å2; (12)Index of Refraction: 1.717; (13)Molar Refractivity: 66.15 cm3; (14)Molar Volume: 167.8 cm3; (15)Polarizability: 26.22×10-24cm3; (16)Surface Tension: 95.4 dyne/cm; (17)Density: 2.31 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: IC=1N(C(=O)NC(=O)C=1F)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)CO
(2)InChI: InChI=1/C9H10FIN2O6/c10-3-6(11)13(9(18)12-7(3)17)8-5(16)4(15)2(1-14)19-8/h2,4-5,8,14-16H,1H2,(H,12,17,18)/t2-,4-,5-,8-/m1/s1
(3)InChIKey: ATXHATZRJXXACM-UMMCILCDBF
(4)Std. InChI: InChI=1S/C9H10FIN2O6/c10-3-6(11)13(9(18)12-7(3)17)8-5(16)4(15)2(1-14)19-8/h2,4-5,8,14-16H,1H2,(H,12,17,18)/t2-,4-,5-,8-/m1/s1
(5)Std. InChIKey: ATXHATZRJXXACM-UMMCILCDSA-N