putdTMP – alpha-putrescinyl-2'-deoxythymidine monophosphate

Name
WID putdTMP View in model
Name alpha-putrescinyl-2'-deoxythymidine monophosphate View in model
Traditional name [5-(5-{[(4-aminobutyl)amino]methyl}-2,4-dioxo-3H-pyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate
IUPAC name [5-(5-{[(4-aminobutyl)amino]methyl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate
 
Classification
Type modified_deoxyribonucleotide_monophosphate View in model
 
Structure
Empirical formula (pH 7.5) H23C14N4O8P1
SMILES (pH 7.5) NCCCCNCC1=CN(C2CC(O)C(COP([O-])([O-])=O)O2)C(=O)NC1=O
Charge (pH 7.5) 0
Is hydrophobic False View in model
Molecular weight (Da) 406.33 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
338.46
pI 7.40
logP -9.68
logD (pH 7.5) -9.91
 
Function
Reaction participant 5'-nucleotidase (alpha-putrescinyl-2'-deoxythymidine monophosphate)
[c]: H2O + putdTMPPI + putdT
View in model
 
Metadata
Created 2012-10-01 15:07:06
Last updated 2012-10-01 15:12:30