EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID40961186

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID40961186


InChI Key	FGPFIXISGWXSCE-UHFFFAOYSA-N
Smiles	OCC(CO)(COCC1OC1)COCC2OC2
InChI	InChI=1/C11H20O6/c12-5-11(6-13,7-14-1-9-3-16-9)8-15-2-10-4-17-10/h9-10,12-13H,1-8H2

InChI Key

FGPFIXISGWXSCE-UHFFFAOYSA-N

Smiles

OCC(CO)(COCC1OC1)COCC2OC2

InChI

InChI=1/C11H20O6/c12-5-11(6-13,7-14-1-9-3-16-9)8-15-2-10-4-17-10/h9-10,12-13H,1-8H2

Property Name	Value
Molecular Formula	C11H20O6
Molecular Weight	248.13
AlogP	-1.21
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	10.0
Polar Surface Area	83.98
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C11H20O6

Molecular Weight

248.13

AlogP

-1.21

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

10.0

Polar Surface Area

83.98

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	40762-73-0
NORMAN SUSDAT
PubChem	6451645

Resources

Reference

CAS NUMBER

40762-73-0

NORMAN SUSDAT

PubChem

6451645

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

2,2-BIS[(OXIRANYLMETHOXY)METHYL]PROPANE-1,3-DIOL

Structure

Physicochemical Descriptors

Cross References