dTMP64dTMP_dewar – 2'-deoxythymidine monophosphate-[6,4]-2'-deoxythymidine monophosphate dewar product

Name
WID dTMP64dTMP_dewar View in model
Name 2'-deoxythymidine monophosphate-[6,4]-2'-deoxythymidine monophosphate dewar product View in model
Traditional name {3-hydroxy-5-[5-hydroxy-6-(3-{4-hydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl}-5-methyl-2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-6-yl)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl}methyl phosphate
IUPAC name {3-hydroxy-5-[5-hydroxy-6-(3-{4-hydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl}-5-methyl-2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-6-yl)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl}methyl phosphate
 
Classification
Type modified_deoxyribonucleotide_monophosphate View in model
 
Structure
Empirical formula (pH 7.5) H26C20N4O16P2
SMILES (pH 7.5) CC1=C2N(C1C1N(C3CC(O)C(COP([O-])([O-])=O)O3)C(=O)NC(=O)C1(C)O)C(=O)N2C1CC(O)C(COP([O-])([O-])=O)O1
Charge (pH 7.5) -4
Is hydrophobic False View in model
Molecular weight (Da) 640.38 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)		 481.84
logP -3.17
logD (pH 7.5) -9.87
 
Function
Reaction participant 5'-nucleotidase (2'-deoxythymidine monophosphate-[6,4]-2'-deoxythymidine monophosphate dewar product)
[c]: dTMP64dTMP_dewar + (2) H2O ⇒ dT64dT_dewar + (2) PI		 View in model
 
Metadata
Created 2012-10-01 15:06:55
Last updated 2012-10-01 15:12:05