cyclobutane_dTMPdTMP – cyclobutane 2'-deoxythymidine monophosphate dimer

Name
WID cyclobutane_dTMPdTMP View in model
Name cyclobutane 2'-deoxythymidine monophosphate dimer View in model
Traditional name [3-hydroxy-5-(8-{4-hydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl}-4a,4b-dimethyl-2,4,5,7-tetraoxo-tetrahydro-1,3,6,8-tetraazabiphenylen-1-yl)oxolan-2-yl]methyl phosphate
IUPAC name [3-hydroxy-5-(8-{4-hydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl}-4a,4b-dimethyl-2,4,5,7-tetraoxo-dodecahydro-1,3,6,8-tetraazabiphenylen-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) CC12C(C3N(C4CC(O)C(COP([O-])([O-])=O)O4)C(=O)NC(=O)C13C)N(C1CC(O)C(COP([O-])([O-])=O)O1)C(=O)NC2=O
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)
484.80
pI 1.05
logP -3.20
logD (pH 7.5) -9.90
 
Function
Reaction participant 5'-nucleotidase (cyclobutane 2'-deoxythymidine monophosphate dimer)
[c]: cyclobutane_dTMPdTMP + (2) H2Ocyclobutane_dTdT + (2) PI
View in model
 
Metadata
Created 2012-10-01 15:06:53
Last updated 2012-10-01 15:11:59