SCS-C002460

uridine

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

Chemical Structure

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Source Information

Muricella sibogae (gorgonian)

Kingdom Metazoa Phylum Cnidaria Class Anthozoa Order Malacalcyonacea Family Anthogorgiidae Genus Muricella Species Muricella sibogae

Weizhou Island · -15~-30m

Chinese Journal of Marine Drugs, 2016, 35(1), 65-68.

Drug-likeness (Lipinski Ro5)

Molecular Weight

244.2 Da

Threshold ≤ 500

ALogP

-2.85

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C9H12N2O6

Molecular Weight:

244.2000 Da

SMILES:

O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1

InChIKey:

                        DRTQHJPVMGBUCF-XVFCMESISA-N
                        
                    

InChI:

InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1

Calculated Properties

ALogP:

-2.852 lipophilicity

TPSA:

124.78 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (1 aromatic)

Chiral Centers:

Fsp³:

0.5556 fraction sp³ carbon

Database Information

Compound ID:

SCS-C002460

NPClassifier Pathway:

Carbohydrates

NPClassifier Superclass:

Nucleosides

NPClassifier Class:

Pyrimidine 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.

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