dT64dT – 2'-deoxythymidine-[6,4]-2'-deoxythymidine

Name
WID	dT64dT
Name	2'-deoxythymidine-[6,4]-2'-deoxythymidine
Traditional name	5-hydroxy-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-{1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl}-5-methyl-1,3-diazinane-2,4-dione
IUPAC name	5-hydroxy-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-{1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-oxo-1,2-dihydropyrimidin-4-yl}-5-methyl-1,3-diazinane-2,4-dione

Classification
Type	modified_deoxyribonucleoside

Structure
Empirical formula (pH 7.5)	H₂₈C₂₀N₄O₁₀
SMILES (pH 7.5)	CC1(C(N(C(=O)NC1=O)C2CC(C(O2)CO)O)C3=NC(=O)N(C=C3C)C4CC(C(O4)CO)O)O
Charge (pH 7.5)	0
Is hydrophobic	False
Molecular weight (Da)	484.46
van der Waals volume (pH 7.5; Å³ molecule^‑1)	409.04
pI	4.44
logP	-2.90
logD (pH 7.5)	-2.90

Function
Reaction participant	5'-nucleotidase (2'-deoxythymidine monophosphate-[6,4]-2'-deoxythymidine monophosphate) [c]: dTMP64dTMP + (2) H2O ⇒ dT64dT + (2) PI 2'-deoxythymidine-[6,4]-2'-deoxythymidine transport dT64dT[e] ⇔ dT64dT[c]

Metadata
Created	2012-10-01 15:06:55
Last updated	2012-10-01 15:12:04