THY64CSN_dewar – thymine-[6,4]-cytosine dewar product
| Name | ||
|---|---|---|
| WID | THY64CSN_dewar |
|
| Name | thymine-[6,4]-cytosine dewar product |
|
| 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 |
|
| 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 |
|
| Molecular weight (Da) | 237.21 |
|
| 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'-deoxythymidine-[6,4]-2'-deoxycytidine ==> 2'-deoxythymidine-[6,4]-2'-deoxycytidine dewar product; UV-B) THY64CSN[c] + UVB_radiation[e] ⇒ THY64CSN_dewar[c] |
|
| Metadata | ||
| Created | 2012-10-01 15:07:08 | |
| Last updated | 2012-10-01 15:12:34 | |
