EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID00157902

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID00157902


InChI Key	VEQZSYWIHMZZQK-UHFFFAOYSA-N
Smiles	O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OCC2OC(O)C(O)C(O)C2O
InChI	InChI=1/C11H22O15P2/c12-4-1-22-5(7(4)13)2-23-27(18,19)26-28(20,21)24-3-6-8(14)9(15)10(16)11(17)25-6/h4-17H,1-3H2,(H,18,19)(H,20,21)

InChI Key

VEQZSYWIHMZZQK-UHFFFAOYSA-N

Smiles

O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OCC2OC(O)C(O)C(O)C2O

InChI

InChI=1/C11H22O15P2/c12-4-1-22-5(7(4)13)2-23-27(18,19)26-28(20,21)24-3-6-8(14)9(15)10(16)11(17)25-6/h4-17H,1-3H2,(H,18,19)(H,20,21)

Property Name	Value
Molecular Formula	C11H22O15P2
Molecular Weight	456.04
AlogP	-3.84
Hydrogen Bond Acceptor	13.0
Hydrogen Bond Donor	8.0
Number of Rotational Bond	8.0
Polar Surface Area	242.13
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C11H22O15P2

Molecular Weight

456.04

AlogP

-3.84

Hydrogen Bond Acceptor

13.0

Hydrogen Bond Donor

8.0

Number of Rotational Bond

8.0

Polar Surface Area

242.13

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	133-89-1
NORMAN SUSDAT

Resources

Reference

CAS NUMBER

133-89-1

NORMAN SUSDAT

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

URIDINE 5'-(TRIHYDROGEN DIPHOSPHATE), MONO-A-D-GLUCOPYRANOSYL ESTER

Structure

Physicochemical Descriptors

Cross References