cyclobutane_dTdT – cyclobutane 2'-deoxythymidine dimer

Name
WID	cyclobutane_dTdT
Name	cyclobutane 2'-deoxythymidine dimer
Traditional name	1,8-bis[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4a,4b-dimethyl-tetrahydro-1,3,6,8-tetraazabiphenylene-2,4,5,7-tetrone
IUPAC name	1,8-bis[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4a,4b-dimethyl-dodecahydro-1,3,6,8-tetraazabiphenylene-2,4,5,7-tetrone
Cross references	PubChem: 10254580

Classification
Type	modified_deoxyribonucleoside

Structure
Empirical formula (pH 7.5)	H₂₈C₂₀N₄O₁₀
SMILES (pH 7.5)	CC12C(C3C1(C(=O)NC(=O)N3C4CC(C(O4)CO)O)C)N(C(=O)NC2=O)C5CC(C(O5)CO)O
Charge (pH 7.5)	0
Is hydrophobic	False
Molecular weight (Da)	484.46
van der Waals volume (pH 7.5; Å³ molecule^‑1)	403.64
pI	4.38
logP	-2.95
logD (pH 7.5)	-2.95

Function
Reaction participant	cyclobutane 2'-deoxythymidine dimer transport cyclobutane_dTdT[e] ⇔ cyclobutane_dTdT[c] 5'-nucleotidase (cyclobutane 2'-deoxythymidine monophosphate dimer) [c]: cyclobutane_dTMPdTMP + (2) H2O ⇒ cyclobutane_dTdT + (2) PI

Metadata
Created	2012-10-01 15:06:53
Last updated	2012-10-01 15:11:59