EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	16597955EP
EPA CompTox	DTXSID9044295

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

16597955EP

EPA CompTox

DTXSID9044295


InChI Key	RQFCJASXJCIDSX-UUOKFMHZSA-N
Smiles	C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=NC2=O)N
InChI	InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1

InChI Key

RQFCJASXJCIDSX-UUOKFMHZSA-N

Smiles

C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1

Property Name	Value
Molecular Formula	C10H14N5O8P1
Molecular Weight	363.06
AlogP	-2.33
Hydrogen Bond Acceptor	10.0
Hydrogen Bond Donor	7.0
Number of Rotational Bond	4.0
Polar Surface Area	207.03
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C10H14N5O8P1

Molecular Weight

363.06

AlogP

-2.33

Hydrogen Bond Acceptor

10.0

Hydrogen Bond Donor

7.0

Number of Rotational Bond

4.0

Polar Surface Area

207.03

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	85-32-5
NORMAN SUSDAT
FDA SRS	16597955EP
PubChem	6804
ChemSpider	6545.0

Resources

Reference

CAS NUMBER

85-32-5

NORMAN SUSDAT

FDA SRS

16597955EP

PubChem

6804

ChemSpider

6545.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

5'-GUANYLIC ACID

Structure

Physicochemical Descriptors

Cross References