SCS-C007334

2'-deoxyguanosine

Pathway: Carbohydrates Superclass: Nucleosides Class: Purine nucleos(t)ides

Chemical Structure

Loading 3D structure...

3D conformers are computationally generated from SMILES by RDKit for visualization and download; they are not experimental crystal or NMR structures.

Download: SDF SMILES

Source Information

Haliclona sp. (sponge)

Kingdom Metazoa Phylum Porifera Class Demospongiae Order Haplosclerida Family Chalinidae Genus Haliclona Species NA

South China Sea

DOI: 10.1515/znc-2009-1-223 · Zeitschrift für Naturforschung C

Drug-likeness (Lipinski Ro5)

Molecular Weight

267.2 Da

Threshold ≤ 500

ALogP

-1.66

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C10H13N5O4

Molecular Weight:

267.2450 Da

SMILES:

Nc1nc2c(ncn2C2CC(O)C(CO)O2)c(=O)[nH]1

InChIKey:

                        YKBGVTZYEHREMT-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)

Calculated Properties

ALogP:

-1.657 lipophilicity

TPSA:

139.28 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (2 aromatic)

Chiral Centers:

Fsp³:

0.5000 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007334

NPClassifier Pathway:

Carbohydrates

NPClassifier Superclass:

Nucleosides

NPClassifier Class:

Purine nucleos(t)ides

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas

Biological Activity Data

No bioactivity data available for this compound.

Back to Compounds