EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	86G58VOP6L

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

86G58VOP6L


InChI Key	UKGRTCZMPQERFQ-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCCOC(=O)C(C)O
InChI	InChI=1S/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(23)20(2)22/h20,22H,3-19H2,1-2H3

InChI Key

UKGRTCZMPQERFQ-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCCOC(=O)C(C)O

InChI

InChI=1S/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(23)20(2)22/h20,22H,3-19H2,1-2H3

Property Name	Value
Molecular Formula	C21H42O3
Molecular Weight	342.31
AlogP	6.17
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	18.0
Polar Surface Area	46.53
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C21H42O3

Molecular Weight

342.31

AlogP

6.17

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

18.0

Polar Surface Area

46.53

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	35230-14-9
NORMAN SUSDAT
FDA SRS	86G58VOP6L
PubChem	118224
ChemSpider	105655.0

Resources

Reference

CAS NUMBER

35230-14-9

NORMAN SUSDAT

FDA SRS

86G58VOP6L

PubChem

118224

ChemSpider

105655.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

STEARYL LACTATE

Structure

Physicochemical Descriptors

Cross References