EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	UT0S826Z60
EPA CompTox	DTXSID0041147

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

UT0S826Z60

EPA CompTox

DTXSID0041147


InChI Key	PGAVKCOVUIYSFO-UHFFFAOYSA-N
Smiles	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
InChI	InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

InChI Key

PGAVKCOVUIYSFO-UHFFFAOYSA-N

Smiles

O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O

InChI

InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

Property Name	Value
Molecular Formula	C9H15N2O15P3
Molecular Weight	483.97
AlogP	-2.09
Hydrogen Bond Acceptor	13.0
Hydrogen Bond Donor	7.0
Number of Rotational Bond	8.0
Polar Surface Area	264.63
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C9H15N2O15P3

Molecular Weight

483.97

AlogP

-2.09

Hydrogen Bond Acceptor

13.0

Hydrogen Bond Donor

7.0

Number of Rotational Bond

8.0

Polar Surface Area

264.63

Heavy Atoms

29.0

Resources	Reference
CAS NUMBER	63-39-8
NORMAN SUSDAT
FDA SRS	UT0S826Z60
PubChem	1181
ChemSpider	1147.0

Resources

Reference

CAS NUMBER

63-39-8

NORMAN SUSDAT

FDA SRS

UT0S826Z60

PubChem

1181

ChemSpider

1147.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

URIDINE 5'-TRIPHOSPHATE

Structure

Physicochemical Descriptors

Cross References