Molecule

ribothymidine

AlkaPlorer ID: AK017092

Synonym: 't', '1-(beta-D-ribofuranosyl)thymine', '605-23-2', 'Ribothymidine', 'ribosylthymidine', 'Thymine riboside'

IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

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

InChI: InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m1/s1

InChIKey: DWRXFEITVBNRMK-JXOAFFINSA-N

PubChem CID: 445408

CAS: 1463-10-1

LOTUS: LTS0036805

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Hyacinthoides non-scripta	Hyacinthoides	Hyacinthaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 258.23

TPSA？: 124.78

MolLogP？: -2.54348

Number of H-Donors: 4

Number of H-Acceptors: 7

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Chlorocebus sabaeus	Vero	MCC	400.0	ug.mL-1	10.1021/jm00152a007
Homo sapiens	ATPase family AAA domain-containing protein 2	Kd	21000000.0	nM	10.1039/C4MD00237G
Homo sapiens	HeLa	MCC	400.0	ug.mL-1	10.1021/jm00152a007
Homo sapiens	WI-38	MCC	400.0	ug.mL-1	10.1021/jm00152a007
None	ADMET	MCC	400.0	ug.mL-1	10.1021/jm00152a007
None	Unchecked	Ki	44100.0	nM	10.1016/j.bmc.2012.09.067

AKRT ID	Reaction	Reaction Link ID
AKRT015078	Cc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O>>Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	enzymemap_56242
AKRT015107	Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O>>Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	enzymemap_10802