EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	W722H4PA1S
EPA CompTox	DTXSID80175669

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

W722H4PA1S

EPA CompTox

DTXSID80175669


InChI Key	OVYNGSFVYRPRCG-KQYNXXCUSA-N
Smiles	O=C3/N=C(/N)Nc1c3ncn1C2OC(C(O)C2OC)CO
InChI	InChI=1S/C11H15N5O5/c1-20-7-6(18)4(2-17)21-10(7)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1

InChI Key

OVYNGSFVYRPRCG-KQYNXXCUSA-N

Smiles

O=C3/N=C(/N)Nc1c3ncn1C2OC(C(O)C2OC)CO

InChI

InChI=1S/C11H15N5O5/c1-20-7-6(18)4(2-17)21-10(7)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1

Property Name	Value
Molecular Formula	C11H15N5O5
Molecular Weight	297.11
AlogP	-1.79
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	3.0
Polar Surface Area	149.5
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C11H15N5O5

Molecular Weight

297.11

AlogP

-1.79

Hydrogen Bond Acceptor

9.0

Hydrogen Bond Donor

5.0

Number of Rotational Bond

3.0

Polar Surface Area

149.5

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	2140-71-8
NORMAN SUSDAT
FDA SRS	W722H4PA1S
PubChem	188959
ChemSpider	164190.0

Resources

Reference

CAS NUMBER

2140-71-8

NORMAN SUSDAT

FDA SRS

W722H4PA1S

PubChem

188959

ChemSpider

164190.0

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

2'-O-METHYLGUANOSINE

Structure

Physicochemical Descriptors

Cross References