dT64dC – 2'-deoxythymidine-[6,4]-2'-deoxycytidine

Name
WID	dT64dC
Name	2'-deoxythymidine-[6,4]-2'-deoxycytidine
Traditional name	5-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-{1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl}-5-methyl-1,3-diazinane-2,4-dione
IUPAC name	5-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-{1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-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)	H₂₇C₁₉N₅O₉
SMILES (pH 7.5)	C1C(C(OC1N2C=CC(=NC2=O)C3C(C)(C(NC(N3C4CC(C(O4)CO)O)=O)=O)N)CO)O
Charge (pH 7.5)	0
Is hydrophobic	False
Molecular weight (Da)	469.44
van der Waals volume (pH 7.5; Å³ molecule^‑1)	395.72
pI	8.77
logP	-3.40
logD (pH 7.5)	-3.43

Function
Reaction participant	5'-nucleotidase (2'-deoxythymidine monophosphate-[6,4]-2'-deoxycytidine monophosphate) [c]: dTMP64dCMP + (2) H2O ⇒ dT64dC + (2) PI 2'-deoxythymidine-[6,4]-2'-deoxycytidine transport dT64dC[e] ⇔ dT64dC[c]

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