dT64dC_dewar – 2'-deoxythymidine-[6,4]-2'-deoxycytidine dewar product

Name
WID	dT64dC_dewar
Name	2'-deoxythymidine-[6,4]-2'-deoxycytidine dewar product
Traditional name	5-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-{3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-6-yl}-5-methyl-1,3-diazinane-2,4-dione
IUPAC name	5-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-{3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-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)	H₂₇C₁₉N₅O₉
SMILES (pH 7.5)	C1C(C(OC1N3C2=CC(N2C3=O)C4C(C)(C(NC(N4C5CC(C(O5)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)	388.62
pI	8.78
logP	-3.27
logD (pH 7.5)	-3.31

Function
Reaction participant	5'-nucleotidase (2'-deoxythymidine monophosphate-[6,4]-2'-deoxycytidine monophosphate dewar product) [c]: dTMP64dCMP_dewar + (2) H2O ⇒ dT64dC_dewar + (2) PI 2'-deoxythymidine-[6,4]-2'-deoxycytidine dewar product transport dT64dC_dewar[e] ⇔ dT64dC_dewar[c]

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