EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID60965883

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID60965883


InChI Key	XVNPLOVSONLCBO-UHFFFAOYSA-N
Smiles	OCC(OCC(OCC(OCC(OC(CO)CO)CO)CO)CO)CO
InChI	InChI=1/C15H32O11/c16-1-11(2-17)23-8-13(5-20)24-9-14(6-21)25-10-15(7-22)26-12(3-18)4-19/h11-22H,1-10H2

InChI Key

XVNPLOVSONLCBO-UHFFFAOYSA-N

Smiles

OCC(OCC(OCC(OCC(OC(CO)CO)CO)CO)CO)CO

InChI

InChI=1/C15H32O11/c16-1-11(2-17)23-8-13(5-20)24-9-14(6-21)25-10-15(7-22)26-12(3-18)4-19/h11-22H,1-10H2

Property Name	Value
Molecular Formula	C15H32O11
Molecular Weight	388.19
AlogP	-4.16
Hydrogen Bond Acceptor	11.0
Hydrogen Bond Donor	7.0
Number of Rotational Bond	18.0
Polar Surface Area	178.53
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C15H32O11

Molecular Weight

388.19

AlogP

-4.16

Hydrogen Bond Acceptor

11.0

Hydrogen Bond Donor

7.0

Number of Rotational Bond

18.0

Polar Surface Area

178.53

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	51555-31-8
NORMAN SUSDAT

Resources

Reference

CAS NUMBER

51555-31-8

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...

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

Last update: Monday, 3 November 2025

PENTAGLYCEROL

Structure

Physicochemical Descriptors

Cross References