e3dTMP – 3'-ethyl-2'-deoxythymidine monophosphate

Name
WID e3dTMP View in model
Name 3'-ethyl-2'-deoxythymidine monophosphate View in model
Traditional name [5-(3-ethyl-5-methyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate
IUPAC name [5-(3-ethyl-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate
 
Classification
Type modified_deoxyribonucleotide_monophosphate_ethylation View in model
 
Structure
Empirical formula (pH 7.5) H17C12N2O8P1
SMILES (pH 7.5) CCN1C(=O)N(C=C(C)C1=O)C1CC(O)C(COP([O-])([O-])=O)O1
Charge (pH 7.5) -2
Is hydrophobic False View in model
Molecular weight (Da) 348.25 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
280.88
logP -0.660
logD (pH 7.5) -4.01
 
Function
Reaction participant 5'-nucleotidase (3'-ethyl-2'-deoxythymidine monophosphate)
[c]: e3dTMP + H2Oe3dT + PI
View in model
 
Metadata
Created 2012-10-01 15:06:56
Last updated 2012-10-01 15:12:06