EcoDrugPlus


Keyword(s):	Drinking Water Chemicals
Molecule Category	Salt-form
UNII	03KCY6P7UT

Keyword(s):

Drinking Water Chemicals

Molecule Category

Salt-form

UNII

03KCY6P7UT


InChI Key	RMGVATURDVPNOZ-UHFFFAOYSA-M
Smiles	[K+].[O-]P(O)(=O)OCCCCCCCCCCCCCCCC
InChI	InChI=1/C16H35O4P.K/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);/q;+1/p-1

InChI Key

RMGVATURDVPNOZ-UHFFFAOYSA-M

Smiles

[K+].[O-]P(O)(=O)OCCCCCCCCCCCCCCCC

InChI

InChI=1/C16H35O4P.K/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);/q;+1/p-1

Property Name	Value
Molecular Formula	C16H34KO4P
Molecular Weight	360.18
AlogP	1.95
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	16.0
Polar Surface Area	69.59
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C16H34KO4P

Molecular Weight

360.18

AlogP

1.95

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

16.0

Polar Surface Area

69.59

Heavy Atoms

22.0

Resources	Reference
NORMAN SUSDAT
FDA SRS	03KCY6P7UT
PubChem	23672321

Resources

Reference

NORMAN SUSDAT

FDA SRS

03KCY6P7UT

PubChem

23672321

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

POTASSIUM HEXADECYL HYDROGEN PHOSPHATE

Structure

Physicochemical Descriptors

Cross References