cyclobutane_dCMPdCMP – cyclobutane 2'-deoxycytidine monophosphate dimer

Name
WID cyclobutane_dCMPdCMP View in model
Name cyclobutane 2'-deoxycytidine monophosphate dimer View in model
Traditional name [5-(4,5-diamino-8-{4-hydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl}-2,7-dioxo-4a,4b,8a,8b-tetrahydro-1,3,6,8-tetraazabiphenylen-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate
IUPAC name [5-(4,5-diamino-8-{4-hydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl}-2,7-dioxo-1,2,4a,4b,7,8,8a,8b-octahydro-1,3,6,8-tetraazabiphenylen-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) NC1=NC(=O)N(C2C3C(C12)C(N)=NC(=O)N3C1CC(O)C(COP([O-])([O-])=O)O1)C1CC(O)C(COP([O-])([O-])=O)O1
Charge (pH 7.5) -4
Is hydrophobic False View in model
Molecular weight (Da) 610.36 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
454.44
pI 1.78
logP -8.00
logD (pH 7.5) -11.77
 
Function
Reaction participant 5'-nucleotidase (cyclobutane 2'-deoxycytidine monophosphate dimer)
[c]: cyclobutane_dCMPdCMP + (2) H2Ocyclobutane_dCdC + (2) PI
View in model
 
Metadata
Created 2012-10-01 15:06:53
Last updated 2012-10-01 15:11:59