EcoDrugPlus


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

Keyword(s):

Human Metabolites

Molecule Category

Free-form


InChI Key	BWFISYIJSZXAOV-UHFFFAOYSA-N
Smiles	CC(=O)OCC1OC(=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChI	InChI=1S/C14H18O10/c1-6(15)20-5-10-11(21-7(2)16)12(22-8(3)17)13(14(19)24-10)23-9(4)18/h10-13H,5H2,1-4H3

InChI Key

BWFISYIJSZXAOV-UHFFFAOYSA-N

Smiles

CC(=O)OCC1OC(=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

InChI

InChI=1S/C14H18O10/c1-6(15)20-5-10-11(21-7(2)16)12(22-8(3)17)13(14(19)24-10)23-9(4)18/h10-13H,5H2,1-4H3

Property Name	Value
Molecular Formula	C14H18O10
Molecular Weight	346.09
AlogP	-0.73
Hydrogen Bond Acceptor	10.0
Number of Rotational Bond	5.0
Polar Surface Area	131.5
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C14H18O10

Molecular Weight

346.09

AlogP

-0.73

Hydrogen Bond Acceptor

10.0

Number of Rotational Bond

5.0

Polar Surface Area

131.5

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	61259-48-1
NORMAN SUSDAT
ChemSpider	9188600.0

Resources

Reference

CAS NUMBER

61259-48-1

NORMAN SUSDAT

ChemSpider

9188600.0

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

(2R,3R,4S,5R)-2-(ACETOXYMETHYL)-6-OXOTETRAHYDRO-2H-PYRAN-3,4,5-TRIYL TRIACETATE

Structure

Physicochemical Descriptors

Cross References