chempirical

Thymidine

C10H14N2O5CAS 50-89-5242.23 g/mol

Open in Covalent MOL file
NOHHOOONHO
AlcoholEtherPhenol

Properties

Molecular formula
C10H14N2O5
Molar mass
242.23 g/mol
Exact mass
242.0903 Da
Melting point
186.5 °C
logP
-1.10Crippen estimate
Polar surface area
104.8 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2
Stereocentres
R, S, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 124 ECHA notifiers. Aggregated from 124 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
50-89-5
SMILES
Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O
InChIKey
IQFYYKKMVGJFEH-XLPZGREQSA-N
InChI
InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

19 names · show all
  • dT
  • Thymine 2-desoxyriboside
  • Uridine, 2′-deoxy-5-methyl-
  • 5-Methyldeoxyuridine
  • β-D-Ribofuranoside, thymine-1 2-deoxy-
  • 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-β-D-erythro-pentofuranosyl)-5-methyl-
  • Deoxythymidine
  • Thymine deoxyriboside
  • 2′-Deoxythymidine
  • Thymidin
  • DThyd
  • 1-(2-Deoxy-β-D-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
  • Deoxyribothymidine
  • 5-Methyl-2′-deoxyuridine
  • NSC 21548
  • 10: PN: CN101531718 PAGE: 4 claimed sequence
  • 5: PN: CN104513856 PAGE: 2 claimed sequence
  • β-Thymidine
  • 31: PN: CN108866051 SEQID: 31 claimed sequence

Work with Thymidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Telbivudine3424-98-4Enantiomer

Similar compounds

5-Iodo-2′-deoxyuridine54-42-278 % similar Edoxudin15176-29-175 % similar 3′-Fluorothymidine25526-93-674 % similar 5-Chloro-2′-deoxyuridine50-90-874 % similar Floxuridine50-91-974 % similar 5-Hydroxymethyl-2′-deoxyuridine5116-24-574 % similar Bromodeoxyuridine59-14-374 % similar 5-Ethynyl-2′-deoxyuridine61135-33-970 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

HC Yellow 459820-43-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia