CSN64CSN_dewar – cytosine-[6,4]-cytosine dewar product

Name
WID CSN64CSN_dewar View in model
Name cytosine-[6,4]-cytosine dewar product View in model
Traditional name 6-(5,6-diamino-2-oxo-4,5-dihydro-3H-pyrimidin-4-yl)-1,3-diazabicyclo[2.2.0]hex-4-en-2-one
IUPAC name 6-(5,6-diamino-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl)-1,3-diazabicyclo[2.2.0]hex-4-en-2-one
 
Classification
Type modified_nucleobase View in model
 
Structure
Empirical formula (pH 7.5) H10C8N6O2
SMILES (pH 7.5) N2C1=CC(N1C2=O)C3NC(N=C(C3N)N)=O
Charge (pH 7.5) 1
Is hydrophobic False View in model
Molecular weight (Da) 222.20 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
172.59
pI 9.10
logP -2.77
logD (pH 7.5) -3.53
 
Function
Reaction participant DNA photoisomerization (2'-deoxycytidine-[6,4]-2'-deoxycytidine ==> 2'-deoxycytidine-[6,4]-2'-deoxycytidine dewar product; UV-B)
CSN64CSN[c] + UVB_radiation[e] ⇒ CSN64CSN_dewar[c]
View in model
 
Metadata
Created 2012-10-01 15:06:52
Last updated 2012-10-01 15:11:59