bmse000244 Thymidine at BMRB

Thymidine

Thymidin; Thymine-2-desoxyriboside; THYMIDINE; Thymine-2-deoxyriboside; 1-(2-Deoxy-beta-D-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione; Thyminedeoxyriboside; 5-Methyldeoxyurindine; DThyd; Uridine, 2'-deoxy-5-methyl-; Deoxythymidine; 2'-Deoxythymidine

Molecular Formula: C10 H14 N2 O5
Natural Isotopic Abundance Mass: 242.2285600000
Mono-Isotopic Molecular Masses: C12N14: 242.09027157; C13N14: 252.123819948; C12N15: 244.084341357; C13N15: 254.1178897347

Thymidine

InCHi String:
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

isomeric SMILES:
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
canonical SMILES:
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O

IUPAC: IUPAC systematic
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

IUPAC traditional
1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone

IUPAC cas: IUPAC openeye
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

PubChem Substance (SID):   85165052   148579   3514
PubChem Compound (CID):   5789
KEGG: Compound ID   C00214
CAS Registry IDs:   35902-13-7   50-89-5
PDB Chemical Component   THM
Miscellaneous Databases and IDs:   CHEBI 17748   CCRIS 1283   EINECS 200-070-4   NSC 21548

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.