EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	YL9WI50HOG
EPA CompTox	DTXSID80862401

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

YL9WI50HOG

EPA CompTox

DTXSID80862401


InChI Key	VOUXIKYKDQCCLL-UHFFFAOYSA-N
Smiles	O=P(OCC)(OCC)P(=O)(OCC)OP(=O)(OCC)P(=O)(OCC)OCC
InChI	InChI=1/C12H30O11P4/c1-7-17-24(13,18-8-2)26(15,21-11-5)23-27(16,22-12-6)25(14,19-9-3)20-10-4/h7-12H2,1-6H3

InChI Key

VOUXIKYKDQCCLL-UHFFFAOYSA-N

Smiles

O=P(OCC)(OCC)P(=O)(OCC)OP(=O)(OCC)P(=O)(OCC)OCC

InChI

InChI=1/C12H30O11P4/c1-7-17-24(13,18-8-2)26(15,21-11-5)23-27(16,22-12-6)25(14,19-9-3)20-10-4/h7-12H2,1-6H3

Property Name	Value
Molecular Formula	C12H30O11P4
Molecular Weight	474.07
AlogP	5.82
Hydrogen Bond Acceptor	11.0
Number of Rotational Bond	16.0
Polar Surface Area	132.89
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C12H30O11P4

Molecular Weight

474.07

AlogP

5.82

Hydrogen Bond Acceptor

11.0

Number of Rotational Bond

16.0

Polar Surface Area

132.89

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	757-58-4
NORMAN SUSDAT
FDA SRS	YL9WI50HOG
PubChem	129630800

Resources

Reference

CAS NUMBER

757-58-4

NORMAN SUSDAT

FDA SRS

YL9WI50HOG

PubChem

129630800

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

HEXAETHYL TETRAPHOSPHATE

Structure

Physicochemical Descriptors

Cross References