5′-Thymidylic acid
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5′-Thymidylic acid
structure -
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CAS No:
365-07-1
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Formula:
C10H15N2O8P
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Chemical Name:
5′-Thymidylic acid
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Synonyms:
5′-Thymidylic acid;5′-TMP;Deoxyribosylthymine monophosphate;Deoxythymidine 5′-monophosphate;Deoxythymidine monophosphate;Deoxythymidylic acid;dTMP;Thymidine 5′-monophosphate;Thymidine 5′-phosphate;Thymidine 5′-phosphoric acid;TMP;Deoxythymidine phosphate;Thymidine mononucleotide;Thymidine monophosphate;Thymidylic acid;5′-dTMP;Thymidine phosphate;Deoxy TMP;Deoxythymidine 5′-phosphate;2′-Deoxythymidine 5′-monophosphate;TMP (nucleotide);5-Methyl-dUMP;dpT;Thymidine-5′-monophosphoric acid;Thymidine 5′-(dihydrogen phosphate);Thymidine,mono(dihydrogen phosphate) (ester);NSC 46713;29592-98-1;52450-15-4;81795-95-1;87578-09-4;125786-57-4;690664-95-0;909343-91-5;1388718-81-7
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CAS No:
Description
ChEBI: The neutral species of thymidine 5'-monophosphate (2'-deoxythymidine 5'-monophosphate).
Solid
DTMP is the neutral species of thymidine 5'-monophosphate (2'-deoxythymidine 5'-monophosphate). It has a role as a fundamental metabolite. It is a conjugate acid of a dTMP(-). It is an enantiomer of a 1-(2-deoxy-5-O-phosphono-beta-L-ribofuranosyl)thymine.|5-Thymidylic acid. A thymine nucleotide containing one phosphate group esterified to the deoxyribose moiety.
Characteristics
160.89000
-2.8
Solid
1.654 g/cm3
1.592
173.1 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|163.84 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]|169.74 Ų [M+Na]+ [CCS Type: DT, Method: stepped-field]|166.26 Ų [M-H]- [CCS Type: DT, Method: stepped-field]|170 Ų [M+Na]+ [CCS Type: TW, Method: calibrated with polyalanine]|167.7 Ų [M-2H+Na]-
Computed Properties
Molecular Weight:322.21
XLogP3:-2.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:322.05660244
Monoisotopic Mass:322.05660244
Topological Polar Surface Area:146
Heavy Atom Count:21
Complexity:529
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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