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| CAS No.: | 365-07-1 |
|---|---|
| Name: | 5'-THYMIDYLIC ACID DISODIUM SALT |
| Article Data: | 88 |
| Molecular Structure: | |
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| Formula: | C10H15N2O8P |
| Molecular Weight: | 322.211 |
| Synonyms: | 2'-Deoxythymidine5'-monophosphate;5-Methyl-dUMP;5'-TMP;5'-dTMP;Deoxy TMP;Deoxyribosylthymine monophosphate;Deoxythymidine 5'-monophosphate;Deoxythymidine 5'-phosphate;Deoxythymidine monophosphate;Deoxythymidinephosphate;Deoxythymidylic acid;NSC 46713;TMP (nucleotide);Thymidine5'-(dihydrogen phosphate);Thymidine 5'-monophosphate;Thymidine 5'-phosphate;Thymidine 5'-phosphoric acid;Thymidine mononucleotide;Thymidinemonophosphate;Thymidine phosphate;Thymidine, mono(dihydrogen phosphate)(ester);Thymidine-5'-monophosphoric acid;Thymidylic acid;dTMP; |
| EINECS: | 251-518-0 |
| Density: | 1.654 g/cm3 |
| Appearance: | white crystalline powder |
| PSA: | 160.89000 |
| LogP: | -1.39730 |
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Specification
This chemical is called 5'-Thymidylic acid, and it can also be named as Thymidine 5'-monophosphate. With the molecular formula of C10H15N2O8P, its molecular weight is 322.21. The CAS registry number of this chemical is 365-07-1, and its IUPAC name is [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate.
Other characteristics of the 5'-Thymidylic acid can be summarised as followings: (1)ACD/LogP: -1.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.93; (4)ACD/LogD (pH 7.4): -5.87; (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: 10; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 113.65 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 65.99 cm3; (15)Molar Volume:194.8 cm3; (16)Polarizability: 26.16×10-24 cm3; (17)Surface Tension: 77 dyne/cm; (18)Density: 1.654 g/cm3.
Production method of this chemical: The 5'-Thymidylic acid could be obtained by the reactant of thymidine. This reaction needs the reagent of p-nitrophenyl phosphate. The yield is 82 %. This reaction should be taken at the temperature of 50 °C. The other condition is Erwina herbicola 47/3 cells.
Uses of this chemical: The [5']thymidylic acid monomethyl ester could be obtained by the reactants of 5'-Thymidylic acid and methanol. This reaction needs the reagents of dicyclohexylcarbodiimide and pyridine. The yield is 66 %. This reaction should be taken for 24 hours at the temperature of 30 °C.
![The [5']thymidylic acid monomethyl ester could be obtained by the reactants of 5'-Thymidylic acid and methanol.](/UserFilesUpload/Uses of 5'-Thymidylic acid.jpg)
You can still convert the following datas into molecular structure:
1.SMILES: O=P(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/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
3.InChIKey: GYOZYWVXFNDGLU-XLPZGREQBM