EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	VGU8ZU3AM5
EPA CompTox	DTXSID80979568

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

VGU8ZU3AM5

EPA CompTox

DTXSID80979568


InChI Key	VKZAQJHLFAGZPB-UHFFFAOYSA-N
Smiles	O=P1(O)OC2COC(N3C=NC=4C(O)=NC(=NC43)N)C2O1
InChI	InChI=1/C9H10N5O6P/c10-9-12-6-4(7(15)13-9)11-2-14(6)8-5-3(1-18-8)19-21(16,17)20-5/h2-3,5,8H,1H2,(H,16,17)(H3,10,12,13,15)

InChI Key

VKZAQJHLFAGZPB-UHFFFAOYSA-N

Smiles

O=P1(O)OC2COC(N3C=NC=4C(O)=NC(=NC43)N)C2O1

InChI

InChI=1/C9H10N5O6P/c10-9-12-6-4(7(15)13-9)11-2-14(6)8-5-3(1-18-8)19-21(16,17)20-5/h2-3,5,8H,1H2,(H,16,17)(H3,10,12,13,15)

Property Name	Value
Molecular Formula	C9H10N5O6P
Molecular Weight	315.04
AlogP	-0.64
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	1.0
Polar Surface Area	155.57
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C9H10N5O6P

Molecular Weight

315.04

AlogP

-0.64

Hydrogen Bond Acceptor

9.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

1.0

Polar Surface Area

155.57

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	634-02-6
NORMAN SUSDAT
FDA SRS	VGU8ZU3AM5

Resources

Reference

CAS NUMBER

634-02-6

NORMAN SUSDAT

FDA SRS

VGU8ZU3AM5

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

GUANOSINE CYCLIC 2',3'-(HYDROGEN PHOSPHATE)

Structure

Physicochemical Descriptors

Cross References