EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	M2R74JG5B5
EPA CompTox	DTXSID40977782

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

M2R74JG5B5

EPA CompTox

DTXSID40977782


InChI Key	QQMSZHORHNORLP-UHFFFAOYSA-N
Smiles	O=C1NC(=N)NC2=C1N=CN2C3OC(CO)C(OP(=O)(O)O)C3
InChI	InChI=1/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(5(2-16)21-6)22-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)

InChI Key

QQMSZHORHNORLP-UHFFFAOYSA-N

Smiles

O=C1NC(=N)NC2=C1N=CN2C3OC(CO)C(OP(=O)(O)O)C3

InChI

InChI=1/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(5(2-16)21-6)22-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)

Property Name	Value
Molecular Formula	C10H14N5O7P
Molecular Weight	347.06
AlogP	-1.3
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	6.0
Number of Rotational Bond	4.0
Polar Surface Area	186.8
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C10H14N5O7P

Molecular Weight

347.06

AlogP

-1.3

Hydrogen Bond Acceptor

9.0

Hydrogen Bond Donor

6.0

Number of Rotational Bond

4.0

Polar Surface Area

186.8

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	6220-62-8
NORMAN SUSDAT
FDA SRS	M2R74JG5B5

Resources

Reference

CAS NUMBER

6220-62-8

NORMAN SUSDAT

FDA SRS

M2R74JG5B5

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'-DEOXYGUANOSINE 3'-(DIHYDROGEN PHOSPHATE)

Structure

Physicochemical Descriptors

Cross References