The Thymidine 5'-(tetrahydrogen triphosphate) is an organic compound with the formula C10H17N2O14P3. The IUPAC name of this chemical is [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate. With the CAS registry number 365-08-2, it is also named as 2'-Deoxythymidine triphosphate.
Physical properties about Thymidine 5'-(tetrahydrogen triphosphate) are: (1)ACD/LogP: -5.30; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -10.81; (4)ACD/LogD (pH 7.4): -11.32; (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: 16; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 204.33 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 86.3 cm3; (15)Molar Volume: 250.8 cm3; (16)Polarizability: 34.21×10-24cm3; (17)Surface Tension: 100.7 dyne/cm; (18)Density: 1.922 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N\1C(=O)NC(=O)/C(=C/1)C)C[C@@H]2O
(2)InChI: InChI=1/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
(3)InChIKey: NHVNXKFIZYSCEB-XLPZGREQBX
(4)Std. InChI: InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
(5)Std. InChIKey: NHVNXKFIZYSCEB-XLPZGREQSA-N
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