Information
Desciclovir (DCV, 6-Deoxyacyclovir, BW A515U) is a prodrug of theantiherpeticagent acyclovir (ACV) that converted into ACV by xanthine oxidase in humans.
| ALogP | -0.942 |
|---|---|
| hba_count | 4 |
| HBD Count | 2 |
| Rotatable Bond | 4 |
| Canonical Smiles | C1=C2C(=NC(=N1)N)N(C=N2)COCCO |
|---|---|
| IUPAC Name | 2-[(2-aminopurin-9-yl)methoxy]ethanol |
| InChIKey | OKQHSIGMOWQUIK-UHFFFAOYSA-N |
| INCHI | 1S/C8H11N5O2/c9-8-10-3-6-7(12-8)13(4-11-6)5-15-2-1-14/h3-4,14H,1-2,5H2,(H2,9,10,12) |
| Isomeric SMILES | C1=C2C(=NC(=N1)N)N(C=N2)COCCO |
| Molecular Weight | 209.21 |
| Reaxy-Rn | 3614015 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3614015&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Purines and purine derivatives |
| Alternative Parents | Aminopyrimidines and derivatives N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine - Aminopyrimidine - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Azacycle - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring. |
| External Descriptors | Not available |
| DMSO(mg / mL) Max Solubility | 42 |
|---|---|
| DMSO(mM) Max Solubility | 200.755222025716 |
| Water(mg / mL) Max Solubility | 25 |
| Water(mM) Max Solubility | 119.497155967688 |
| Molecular Weight | 209.210 g/mol |
| XLogP3 | -1.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 209.091 Da |
| Monoisotopic Mass | 209.091 Da |
| Topological Polar Surface Area | 99.100 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 205.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
