EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	N9J10KFG94
EPA CompTox	DTXSID20242223

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

N9J10KFG94

EPA CompTox

DTXSID20242223


InChI Key	JSRLJPSBLDHEIO-SHYZEUOFSA-N
Smiles	C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O
InChI	InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

InChI Key

JSRLJPSBLDHEIO-SHYZEUOFSA-N

Smiles

C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O

InChI

InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

Property Name	Value
Molecular Formula	C9H13N2O8P1
Molecular Weight	308.04
AlogP	-1.29
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	151.34
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C9H13N2O8P1

Molecular Weight

308.04

AlogP

-1.29

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

151.34

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	964-26-1
NORMAN SUSDAT
FDA SRS	N9J10KFG94
PubChem	65063
ChemSpider	668.0

Resources

Reference

CAS NUMBER

964-26-1

NORMAN SUSDAT

FDA SRS

N9J10KFG94

PubChem

65063

ChemSpider

668.0

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

2'-DEOXYURIDYLIC ACID

Structure

Physicochemical Descriptors

Cross References