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Thymidine Impurity 3

CAT: 1299-RM-T043103-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T043103-02Size:25 mg
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CAS Number
365-07-1
Synonyms
5′-TMP; 5′-Thymidylic acid; Deoxyribosylthymine monophosphate; Deoxythymidine 5′-monophosphate; Deoxythymidine monophosphate; ((2R,3S,5R) -3-hydroxy-5- (5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1 (2H) -yl) tetrahydrofuran-2-yl) methyl dihydrogen phosphate
Molecular Formula
C10H15N2O8P
Molecular Weight
322.21
Target Alternative Name
Thymidine
Product Name Synonym
5′-TMP; 5′-Thymidylic acid; Deoxyribosylthymine monophosphate; Deoxythymidine 5′-monophosphate; Deoxythymidine monophosphate; ((2R,3S,5R) -3-hydroxy-5- (5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1 (2H) -yl) tetrahydrofuran-2-yl) methyl dihydrogen phosphate

Chemical Information

5'-Thymidylic acid

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.

CAS Number365-07-1
PubChem CID9700
IUPAC Name[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Molecular FormulaC10H15N2O8P
Molecular Weight322.21
XLogP-2.8
Topological Polar Surface Area146
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity529
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
InChI
InChI=1S/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
InChIKey
GYOZYWVXFNDGLU-XLPZGREQSA-N
Chemical Structure
2D Structure
2D structure of 5'-Thymidylic acid
CAS: 365-07-1
CID: 9700
Formula: C10H15N2O8P
MW: 322.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.21
XLogP3-2.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass322.05660244
Monoisotopic Mass322.05660244
Topological Polar Surface Area146 Ų
Heavy Atom Count21
Formal Charge0
Complexity529
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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