EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	DP2DBE4KD7
EPA CompTox	DTXSID60225575

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

DP2DBE4KD7

EPA CompTox

DTXSID60225575


InChI Key	MWRALIMEHCNIJC-UHFFFAOYSA-N
Smiles	CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)C(=O)OCC
InChI	InChI=1S/C15H24O8/c1-5-20-11(16)9-15(13(18)22-7-3,14(19)23-8-4)10-12(17)21-6-2/h5-10H2,1-4H3

InChI Key

MWRALIMEHCNIJC-UHFFFAOYSA-N

Smiles

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

InChI

InChI=1S/C15H24O8/c1-5-20-11(16)9-15(13(18)22-7-3,14(19)23-8-4)10-12(17)21-6-2/h5-10H2,1-4H3

Property Name	Value
Molecular Formula	C15H24O8
Molecular Weight	332.15
AlogP	1.01
Hydrogen Bond Acceptor	8.0
Number of Rotational Bond	10.0
Polar Surface Area	105.2
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C15H24O8

Molecular Weight

332.15

AlogP

1.01

Hydrogen Bond Acceptor

8.0

Number of Rotational Bond

10.0

Polar Surface Area

105.2

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	7460-75-5
NORMAN SUSDAT
FDA SRS	DP2DBE4KD7
PubChem	81965
ChemSpider	73970.0

Resources

Reference

CAS NUMBER

7460-75-5

NORMAN SUSDAT

FDA SRS

DP2DBE4KD7

PubChem

81965

ChemSpider

73970.0

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

TETRAETHYL PROPANE-1,2,2,3-TETRACARBOXYLATE

Structure

Physicochemical Descriptors

Cross References