CSN64THY_dewar – cytosine-[6,4]-thymine dewar product

Name
WID CSN64THY_dewar View in model
Name cytosine-[6,4]-thymine dewar product View in model
Traditional name 5-amino-5-methyl-6-{2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-6-yl}-1,3-diazinane-2,4-dione
IUPAC name 5-amino-5-methyl-6-{2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-6-yl}-1,3-diazinane-2,4-dione
 
Classification
Type modified_nucleobase View in model
 
Structure
Empirical formula (pH 7.5) H11C9N5O3
SMILES (pH 7.5) N2C1=CC(N1C2=O)C3C(C)(C(NC(N3)=O)=O)N
Charge (pH 7.5) 0
Is hydrophobic False View in model
Molecular weight (Da) 237.21 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
187.48
pI 7.48
logP -1.95
logD (pH 7.5) -2.00
 
Function
Reaction participant DNA photoisomerization (2'-deoxycytidine-[6,4]-2'-deoxythymidine ==> 2'-deoxycytidine-[6,4]-2'-deoxythymidine dewar product; UV-B)
CSN64THY[c] + UVB_radiation[e] ⇒ CSN64THY_dewar[c]
View in model
 
Metadata
Created 2012-10-01 15:06:52
Last updated 2012-10-01 15:11:59