dCMP64dTMP – 2'-deoxycytidine monophosphate-[6,4]-2'-deoxythymidine monophosphate

Name
WID dCMP64dTMP View in model
Name 2'-deoxycytidine monophosphate-[6,4]-2'-deoxythymidine monophosphate View in model
Traditional name 4-amino-5-hydroxy-1-{4-hydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl}-6-(1-{4-hydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl}-5-methyl-2-oxo-3,4-dihydropyrimidin-4-yl)-2-oxo-5H-1$l^{5},3-pyrimidin-1-ylium
IUPAC name 4-amino-5-hydroxy-1-{4-hydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl}-6-(1-{4-hydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl}-5-methyl-2-oxo-1,2,3,4-tetrahydropyrimidin-4-yl)-2-oxo-2,5-dihydro-1$l^{5},3-pyrimidin-1-ylium
 
Classification
Type modified_deoxyribonucleotide_monophosphate View in model
 
Structure
Empirical formula (pH 7.5) H26C19N5O15P2
SMILES (pH 7.5) CC1=CN(C2CC(O)C(COP([O-])([O-])=O)O2)C(=O)NC1C1=[N+](C2CC(O)C(COP([O-])([O-])=O)O2)C(=O)N=C(N)C1O
Charge (pH 7.5) -4
Is hydrophobic False View in model
Molecular weight (Da) 626.38 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)		 476.55
pI 0.910
logP -7.16
logD (pH 7.5) -7.68
 
Function
Reaction participant 5'-nucleotidase (2'-deoxycytidine monophosphate-[6,4]-2'-deoxythymidine monophosphate)
[c]: dCMP64dTMP + (2) H2O ⇒ dC64dT + (2) PI		 View in model
 
Metadata
Created 2012-10-01 15:06:54
Last updated 2012-10-01 15:12:01