dC64dC – 2'-deoxycytidine-[6,4]-2'-deoxycytidine

Name
WID dC64dC View in model
Name 2'-deoxycytidine-[6,4]-2'-deoxycytidine View in model
Traditional name 4-{5,6-diamino-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-4,5-dihydropyrimidin-4-yl}-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
IUPAC name 4-{5,6-diamino-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl}-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
 
Classification
Type modified_deoxyribonucleoside View in model
 
Structure
Empirical formula (pH 7.5) H26C18N6O8
SMILES (pH 7.5) C1C(C(OC1N2C=CC(=NC2=O)C4N(C3OC(C(C3)O)CO)C(N=C(C4N)N)=O)CO)O
Charge (pH 7.5) 1
Is hydrophobic False View in model
Molecular weight (Da) 454.43 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
380.80
pI 10.60
logP -4.21
logD (pH 7.5) -4.96
 
Function
Reaction participant View in model
 
Metadata
Created 2012-10-01 15:06:53
Last updated 2012-10-01 15:12:01