aza6dTMP – 6-aza-2'-deoxythymidine monophosphate

Name
WID aza6dTMP View in model
Name 6-aza-2'-deoxythymidine monophosphate View in model
Traditional name [3-hydroxy-5-(6-methyl-3,5-dioxo-4H-1,2,4-triazin-2-yl)oxolan-2-yl]methyl phosphate
IUPAC name [3-hydroxy-5-(6-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl)oxolan-2-yl]methyl phosphate
 
Classification
Type modified_deoxyribonucleotide_monophosphate View in model
 
Structure
Empirical formula (pH 7.5) H12C9N3O8P1
SMILES (pH 7.5) CC1=NN(C2CC(O)C(COP([O-])([O-])=O)O2)C(=O)NC1=O
Charge (pH 7.5) -2
Is hydrophobic False View in model
Molecular weight (Da) 321.18 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
241.51
logP -1.65
logD (pH 7.5) -5.11
 
Function
Reaction participant 5'-nucleotidase (6-aza-2'-deoxythymidine monophosphate)
[c]: aza6dTMP + H2Oaza6dT + PI
View in model
 
Metadata
Created 2012-10-01 15:06:51
Last updated 2012-10-01 15:11:55