dC64dC_dewar – 2'-deoxycytidine-[6,4]-2'-deoxycytidine dewar product

Name
WID dC64dC_dewar View in model
Name 2'-deoxycytidine-[6,4]-2'-deoxycytidine dewar product View in model
Traditional name 6-{5,6-diamino-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-4,5-dihydropyrimidin-4-yl}-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazabicyclo[2.2.0]hex-4-en-2-one
IUPAC name 6-{5,6-diamino-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl}-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazabicyclo[2.2.0]hex-4-en-2-one
 
Classification
Type modified_deoxyribonucleoside View in model
 
Structure
Empirical formula (pH 7.5) H26C18N6O8
SMILES (pH 7.5) C1C(C(OC1N3C2=CC(N2C3=O)C5N(C4OC(C(C4)O)CO)C(N=C(C5N)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)
373.45
pI 10.57
logP -4.09
logD (pH 7.5) -4.84
 
Function
Reaction participant View in model
 
Metadata
Created 2012-10-01 15:06:53
Last updated 2012-10-01 15:12:01