EcoDrugPlus


Keyword(s):	Surfactants ; Food Contact Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID1045039

Keyword(s):

Surfactants ; Food Contact Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID1045039


InChI Key	ZUVCYFMOHFTGDM-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCO[P](O)(O)=O
InChI	InChI=1S/C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H2,17,18,19)

InChI Key

ZUVCYFMOHFTGDM-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCO[P](O)(O)=O

InChI

InChI=1S/C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H2,17,18,19)

Property Name	Value
Molecular Formula	C16H35O4P1
Molecular Weight	322.23
AlogP	5.58
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	16.0
Polar Surface Area	66.76
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C16H35O4P1

Molecular Weight

322.23

AlogP

5.58

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

16.0

Polar Surface Area

66.76

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	3539-43-3
NORMAN SUSDAT
PubChem	19059
ChemSpider	17994.0

Resources

Reference

CAS NUMBER

3539-43-3

NORMAN SUSDAT

PubChem

19059

ChemSpider

17994.0

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

HEXADECYL DIHYDROGEN PHOSPHATE

Structure

Physicochemical Descriptors

Cross References