dTMP64dCMP – 2'-deoxythymidine monophosphate-[6,4]-2'-deoxycytidine monophosphate

Name
WID dTMP64dCMP View in model
Name 2'-deoxythymidine monophosphate-[6,4]-2'-deoxycytidine monophosphate View in model
Traditional name {5-[5-amino-6-(1-{4-hydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl}-2-oxopyrimidin-4-yl)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]-3-hydroxyoxolan-2-yl}methyl phosphate
IUPAC name {5-[5-amino-6-(1-{4-hydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl}-2-oxo-1,2-dihydropyrimidin-4-yl)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]-3-hydroxyoxolan-2-yl}methyl phosphate
 
Classification
Type modified_deoxyribonucleotide_monophosphate View in model
 
Structure
Empirical formula (pH 7.5) H25C19N5O15P2
SMILES (pH 7.5) CC1(N)C(N(C2CC(O)C(COP([O-])([O-])=O)O2)C(=O)NC1=O)C1=NC(=O)N(C=C1)C1CC(O)C(COP([O-])([O-])=O)O1
Charge (pH 7.5) -4
Is hydrophobic False View in model
Molecular weight (Da) 625.37 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
476.23
pI 1.57
logP -6.99
logD (pH 7.5) -10.27
 
Function
Reaction participant 5'-nucleotidase (2'-deoxythymidine monophosphate-[6,4]-2'-deoxycytidine monophosphate)
[c]: dTMP64dCMP + (2) H2OdT64dC + (2) PI
View in model
 
Metadata
Created 2012-10-01 15:06:55
Last updated 2012-10-01 15:12:04