dCMP64dCMP – 2'-deoxycytidine monophosphate-[6,4]-2'-deoxycytidine monophosphate

Name
WID dCMP64dCMP View in model
Name 2'-deoxycytidine monophosphate-[6,4]-2'-deoxycytidine monophosphate View in model
Traditional name {5-[4,5-diamino-6-(1-{4-hydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl}-2-oxopyrimidin-4-yl)-2-oxo-5,6-dihydropyrimidin-1-yl]-3-hydroxyoxolan-2-yl}methyl phosphate
IUPAC name {5-[4,5-diamino-6-(1-{4-hydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl}-2-oxo-1,2-dihydropyrimidin-4-yl)-2-oxo-1,2,5,6-tetrahydropyrimidin-1-yl]-3-hydroxyoxolan-2-yl}methyl phosphate
 
Classification
Type modified_deoxyribonucleotide_monophosphate View in model
 
Structure
Empirical formula (pH 7.5) H24C18N6O14P2
SMILES (pH 7.5) NC1C(N(C2CC(O)C(COP([O-])([O-])=O)O2)C(=O)N=C1N)C1=NC(=O)N(C=C1)C1CC(O)C(COP([O-])([O-])=O)O1
Charge (pH 7.5) -3
Is hydrophobic False View in model
Molecular weight (Da) 610.36 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)		 460.99
pI 1.63
logP -8.63
logD (pH 7.5) -10.68
 
Function
Reaction participant 5'-nucleotidase (2'-deoxycytidine monophosphate-[6,4]-2'-deoxycytidine monophosphate)
[c]: dCMP64dCMP + (2) H2O ⇒ dC64dC + (2) PI		 View in model
 
Metadata
Created 2012-10-01 15:06:53
Last updated 2012-10-01 15:12:01