dCMP64dCMP_dewar – 2'-deoxycytidine monophosphate-[6,4]-2'-deoxycytidine monophosphate dewar product

Name
WID dCMP64dCMP_dewar View in model
Name 2'-deoxycytidine monophosphate-[6,4]-2'-deoxycytidine monophosphate dewar product View in model
Traditional name {5-[6-(5,6-diamino-3-{4-hydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl}-2-oxo-4,5-dihydropyrimidin-4-yl)-2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-3-yl]-3-hydroxyoxolan-2-yl}methyl phosphate
IUPAC name {5-[6-(5,6-diamino-3-{4-hydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl}-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl)-2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-3-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(C2C=C3N2C(=O)N3C2CC(O)C(COP([O-])([O-])=O)O2)N(C2CC(O)C(COP([O-])([O-])=O)O2)C(=O)N=C1N
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)		 453.50
pI 1.64
logP -8.50
logD (pH 7.5) -10.55
 
Function
Reaction participant 5'-nucleotidase (2'-deoxycytidine monophosphate-[6,4]-2'-deoxycytidine monophosphate dewar product)
[c]: dCMP64dCMP_dewar + (2) H2O ⇒ dC64dC_dewar + (2) PI		 View in model
 
Metadata
Created 2012-10-01 15:06:53
Last updated 2012-10-01 15:12:01