EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Drinking Water Chemicals ; Plastic additives
Molecule Category	Salt-form
UNII	AO71K6FGH8
EPA CompTox	DTXSID9027655

Keyword(s):

Food Contact Chemicals ; Drinking Water Chemicals ; Plastic additives

Molecule Category

Salt-form

UNII

AO71K6FGH8

EPA CompTox

DTXSID9027655


InChI Key	FPLIHVCWSXLMPX-UHFFFAOYSA-M
Smiles	[Li+].CCCCCCC(O)CCCCCCCCCCC(=O)[O-]
InChI	InChI=1/C18H36O3.Li/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+1/p-1

InChI Key

FPLIHVCWSXLMPX-UHFFFAOYSA-M

Smiles

[Li+].CCCCCCC(O)CCCCCCCCCCC(=O)[O-]

InChI

InChI=1/C18H36O3.Li/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+1/p-1

Property Name	Value
Molecular Formula	C18H35LiO3
Molecular Weight	306.27
AlogP	0.97
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	16.0
Polar Surface Area	60.36
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C18H35LiO3

Molecular Weight

306.27

AlogP

0.97

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

16.0

Polar Surface Area

60.36

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	7620-77-1
NORMAN SUSDAT
FDA SRS	AO71K6FGH8

Resources

Reference

CAS NUMBER

7620-77-1

NORMAN SUSDAT

FDA SRS

AO71K6FGH8

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

LITHIUM 12-HYDROXYSTEARATE

Structure

Physicochemical Descriptors

Cross References