CAS 365-07-1|Thymidine monophosphate|Deoxythymidine 5'-phosphate|Thymidine 5'MP|Thymidine 5'-(dihydrogen phosphate)|Deoxythymidylic acid|3'-Tmp|Deoxythymidine 5'-monophosphate|3'-Thymidylic acid|Pol...

General Information

Structure

Molecular Formula

C₁₀H₁₅N₂O₈P

Molecular Mass

322.208461

Exact Mass

322.05660208

Charge

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

Canonic Smiles

O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1cc(C)c(=O)[nH]c1=O

Isomeric Smiles

Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O

Calculated Properties

JChem

LogD (pH = 7.4)

-4.77

LogD (pH = 5.5)

-3.68

Log P

-1.24

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

1.23

Polar Surface Area

145.63

Polarizability

27.64

Molar Refractivity

66.28

LOG S

-0.12

Data Source

Academic Data

Data Source

Names and Identifiers

Synonyms

Thymidine monophosphateDeoxythymidine 5'-phosphateThymidine 5'MPThymidine 5'-(dihydrogen phosphate)Deoxythymidylic acid3'-TmpDeoxythymidine 5'-monophosphate3'-Thymidylic acidPoly tDeoxythymidine phosphateDeoxythymidine monophosphateThymidine 5'-phosphatePoly(t)Thymidine 5'-phosphoric acid5'-TMPThymidine-5'-PhosphatePolythymidineThymidylic acid polymerDeoxyribosylthymine monophosphateDTMP5-Methyl-dUMPThymidine mononucleotideDPTThymidine-5'-monophosphoric acid2'-Deoxythymidine 5'-monophosphatePolythymidylic acidThymidylate5'-dTMPOctothymidylateThymidine-5'-MonophosphatePolydeoxyribothymidylic acidThymidine phosphateThymidylic acidPolydeoxythymidylic acid5'-Thymidylic acidTMPDeoxy TMPDeoxythymydilic acidPoly(DT)thymidine-5'-monophosphoric acidthymidine 5'-phosphoric aciddTMP5'-Thymidylic acidribothymidine 5'-monophosphateThymidine 5'-phosphateThymidylateThymidine monophosphate5'-TMP5-methyl-dUMP(dT)1TMPThymidylic acidthymidine 5'-(dihydrogen phosphate)THYMIDINE-5'-PHOSPHATEdeoxyribosylthymine monophosphate

IUPAC name

{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid

IUPAC Traditional name

thymidine-5'-phosphate thymidylate

Names and Identifiers

Registration numbers

Properties

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