EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID30211309

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID30211309


InChI Key	WADOGHZARUGFCV-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCCCCCCCCCCC
InChI	InChI=1S/C36H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-39-25-27-41-29-31-43-33-35-45-47(37,38)46-36-34-44-32-30-42-28-26-40-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,37,38)

InChI Key

WADOGHZARUGFCV-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCCCCCCCCCCC

InChI

InChI=1S/C36H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-39-25-27-41-29-31-43-33-35-45-47(37,38)46-36-34-44-32-30-42-28-26-40-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,37,38)

Property Name	Value
Molecular Formula	C36H75O10P1
Molecular Weight	698.51
AlogP	9.06
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	42.0
Polar Surface Area	111.14
Heavy Atoms	47.0

Property Name

Value

Molecular Formula

C36H75O10P1

Molecular Weight

698.51

AlogP

9.06

Hydrogen Bond Acceptor

9.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

42.0

Polar Surface Area

111.14

Heavy Atoms

47.0

Resources	Reference
CAS NUMBER	62249-18-7
NORMAN SUSDAT
PubChem	6454368
ChemSpider	4956691.0

Resources

Reference

CAS NUMBER

62249-18-7

NORMAN SUSDAT

PubChem

6454368

ChemSpider

4956691.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

BIS(2-(2-(2-(DODECYLOXY)ETHOXY)ETHOXY)ETHYL) HYDROGEN PHOSPHATE

Structure

Physicochemical Descriptors

Cross References