EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	H0ARN8U4Y9

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

H0ARN8U4Y9


InChI Key	KYOBSHFOBAOFBF-XVFCMESISA-N
Smiles	O[C@@H]1[C@H](O)[C@H](O[C@H]1n1c(=O)nc(cc1C(=O)O)O)COP(=O)(O)O
InChI	InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1

InChI Key

KYOBSHFOBAOFBF-XVFCMESISA-N

Smiles

O[C@@H]1[C@H](O)[C@H](O[C@H]1n1c(=O)nc(cc1C(=O)O)O)COP(=O)(O)O

InChI

InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1

Property Name	Value
Molecular Formula	C10H13N2O11P1
Molecular Weight	368.03
AlogP	-2.62
Hydrogen Bond Acceptor	10.0
Hydrogen Bond Donor	6.0
Number of Rotational Bond	5.0
Polar Surface Area	208.87
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C10H13N2O11P1

Molecular Weight

368.03

AlogP

-2.62

Hydrogen Bond Acceptor

10.0

Hydrogen Bond Donor

6.0

Number of Rotational Bond

5.0

Polar Surface Area

208.87

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	2149-82-8
NORMAN SUSDAT
FDA SRS	H0ARN8U4Y9
PubChem	160617
ChemSpider	943.0

Resources

Reference

CAS NUMBER

2149-82-8

NORMAN SUSDAT

FDA SRS

H0ARN8U4Y9

PubChem

160617

ChemSpider

943.0

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...

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Last update: Monday, 3 November 2025

OROTIDINE 5'-MONOPHOSPHATE

Structure

Physicochemical Descriptors

Cross References