EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7G6K9SB27Y
EPA CompTox	DTXSID7067746

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7G6K9SB27Y

EPA CompTox

DTXSID7067746


InChI Key	VFTFKUDGYRBSAL-UHFFFAOYSA-N
Smiles	C1COCCOCCOCCOCCO1
InChI	InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2

InChI Key

VFTFKUDGYRBSAL-UHFFFAOYSA-N

Smiles

C1COCCOCCOCCOCCO1

InChI

InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2

Property Name	Value
Molecular Formula	C10H20O5
Molecular Weight	220.13
AlogP	0.08
Hydrogen Bond Acceptor	5.0
Polar Surface Area	46.15
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C10H20O5

Molecular Weight

220.13

AlogP

0.08

Hydrogen Bond Acceptor

5.0

Polar Surface Area

46.15

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	33100-27-5
NORMAN SUSDAT
FDA SRS	7G6K9SB27Y
PubChem	36336

Resources

Reference

CAS NUMBER

33100-27-5

NORMAN SUSDAT

FDA SRS

7G6K9SB27Y

PubChem

36336

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

1,4,7,10,13-PENTAOXACYCLOPENTADECANE

Structure

Physicochemical Descriptors

Cross References