SCS-C001215

uridine-5'-a-hydroxypropanoate

Chemical Structure

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Source Information

Nigrospora sp. (zoanthid-derived fungus)

Kingdom Fungi Phylum Ascomycota Class Sordariomycetes Order Amphisphaeriales Family Apiosporaceae Genus Nigrospora Species NA

Shankou

DOI: 10.1080/10286020.2012.691094 · Journal of Asian Natural Products Research

Drug-likeness (Lipinski Ro5)

Molecular Weight

364.3 Da

Threshold ≤ 500

ALogP

-3.06

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C13H20N2O10

Molecular Weight:

364.3070 Da

SMILES:

CC(C)OC(=O)[C@@H]1OC2CC(=O)NC(=O)N2OC1(O)C(O)C(O)CO

InChIKey:

                        HYPIPDZKYNLFOP-MRYAZUNKSA-N
                        
                    

InChI:

InChI=1S/C13H20N2O10/c1-5(2)23-11(20)10-13(22,9(19)6(17)4-16)25-15-8(24-10)3-7(18)14-12(15)21/h5-6,8-10,16-17,19,22H,3-4H2,1-2H3,(H,14,18,21)/t6?,8?,9?,10-,13?/m0/s1

Calculated Properties

ALogP:

-3.061 lipophilicity

TPSA:

175.09 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (0 aromatic)

Chiral Centers:

Fsp³:

0.7692 fraction sp³ carbon

Database Information

Compound ID:

SCS-C001215

NPClassifier Pathway:

N/A

NPClassifier Superclass:

N/A

NPClassifier Class:

N/A

Glycoside:

NPClassifier Status:

No classification

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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