dT64dT_dewar – 2'-deoxythymidine-[6,4]-2'-deoxythymidine dewar product

Name
WID	dT64dT_dewar
Name	2'-deoxythymidine-[6,4]-2'-deoxythymidine dewar product
Traditional name	5-hydroxy-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-{3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-6-yl}-5-methyl-1,3-diazinane-2,4-dione
IUPAC name	5-hydroxy-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-{3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-6-yl}-5-methyl-1,3-diazinane-2,4-dione

Classification
Type	modified_deoxyribonucleoside

Structure
Empirical formula (pH 7.5)	H₂₈C₂₀N₄O₁₀
SMILES (pH 7.5)	CC2=C1N(C(=O)N1C2C3C(C)(C(NC(N3C4CC(C(O4)CO)O)=O)=O)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)	401.88
pI	4.43
logP	-2.92
logD (pH 7.5)	-2.92

Function
Reaction participant	5'-nucleotidase (2'-deoxythymidine monophosphate-[6,4]-2'-deoxythymidine monophosphate dewar product) [c]: dTMP64dTMP_dewar + (2) H2O ⇒ dT64dT_dewar + (2) PI 2'-deoxythymidine-[6,4]-2'-deoxythymidine dewar product transport dT64dT_dewar[e] ⇔ dT64dT_dewar[c]

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