EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
UNII	X5R67DO0V2
EPA CompTox	DTXSID30189771

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

UNII

X5R67DO0V2

EPA CompTox

DTXSID30189771


InChI Key	YNQVTHFOJBTQHC-UHFFFAOYSA-L
Smiles	[Fe+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-]
InChI	InChI=1/2C16H32O2.Fe/c21-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h22-15H2,1H3,(H,17,18);/q;;+2/p-2

InChI Key

YNQVTHFOJBTQHC-UHFFFAOYSA-L

Smiles

[Fe+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-]

InChI

InChI=1/2C16H32O2.Fe/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2

Property Name	Value
Molecular Formula	C32H62FeO4
Molecular Weight	566.4
AlogP	8.43
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	28.0
Polar Surface Area	80.26
Heavy Atoms	37.0

Property Name

Value

Molecular Formula

C32H62FeO4

Molecular Weight

566.4

AlogP

8.43

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

28.0

Polar Surface Area

80.26

Heavy Atoms

37.0

Resources	Reference
CAS NUMBER	36215-91-5
NORMAN SUSDAT
FDA SRS	X5R67DO0V2

Resources

Reference

CAS NUMBER

36215-91-5

NORMAN SUSDAT

FDA SRS

X5R67DO0V2

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

IRON(2+) PALMITATE

Structure

Physicochemical Descriptors

Cross References