EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	5G8A5ZPV2T
EPA CompTox	DTXSID90212554

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

5G8A5ZPV2T

EPA CompTox

DTXSID90212554


InChI Key	UQSBVZIXVVORQC-UHFFFAOYSA-N
Smiles	CCOC(=O)C(C(C(=O)OCC)C(=O)OCC)C(=O)OCC
InChI	InChI=1S/C14H22O8/c1-5-19-11(15)9(12(16)20-6-2)10(13(17)21-7-3)14(18)22-8-4/h9-10H,5-8H2,1-4H3

InChI Key

UQSBVZIXVVORQC-UHFFFAOYSA-N

Smiles

CCOC(=O)C(C(C(=O)OCC)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C14H22O8/c1-5-19-11(15)9(12(16)20-6-2)10(13(17)21-7-3)14(18)22-8-4/h9-10H,5-8H2,1-4H3

Property Name	Value
Molecular Formula	C14H22O8
Molecular Weight	318.13
AlogP	0.47
Hydrogen Bond Acceptor	8.0
Number of Rotational Bond	9.0
Polar Surface Area	105.2
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C14H22O8

Molecular Weight

318.13

AlogP

0.47

Hydrogen Bond Acceptor

8.0

Number of Rotational Bond

9.0

Polar Surface Area

105.2

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	632-56-4
NORMAN SUSDAT
FDA SRS	5G8A5ZPV2T
PubChem	79090
ChemSpider	71422.0

Resources

Reference

CAS NUMBER

632-56-4

NORMAN SUSDAT

FDA SRS

5G8A5ZPV2T

PubChem

79090

ChemSpider

71422.0

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...

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

Last update: Monday, 3 November 2025

TETRAETHYL ETHANE-1,1,2,2-TETRACARBOXYLATE

Structure

Physicochemical Descriptors

Cross References