dC64dT_dewar – 2'-deoxycytidine-[6,4]-2'-deoxythymidine dewar product

Name
WID dC64dT_dewar View in model
Name 2'-deoxycytidine-[6,4]-2'-deoxythymidine dewar product View in model
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 View in model
 
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 View in model
Molecular weight (Da) 469.44 View in model
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 View in model
 
Metadata
Created 2012-10-01 15:06:53
Last updated 2012-10-01 15:12:01