EcoDrugPlus


Keyword(s):	Indoor Environment Substances
Molecule Category	Free-form
UNII	6Y2XJ05B35
EPA CompTox	DTXSID9042041

Keyword(s):

Indoor Environment Substances

Molecule Category

Free-form

UNII

6Y2XJ05B35

EPA CompTox

DTXSID9042041


InChI Key	BBNYCLAREVXOSG-UHFFFAOYSA-N
Smiles	O=C(OC(CO)CO)CCCCCCCCCCCCCCC
InChI	InChI=1/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3

InChI Key

BBNYCLAREVXOSG-UHFFFAOYSA-N

Smiles

O=C(OC(CO)CO)CCCCCCCCCCCCCCC

InChI

InChI=1/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3

Property Name	Value
Molecular Formula	C19H38O4
Molecular Weight	330.28
AlogP	4.36
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	17.0
Polar Surface Area	66.76
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C19H38O4

Molecular Weight

330.28

AlogP

4.36

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

17.0

Polar Surface Area

66.76

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	26657-96-5
NORMAN SUSDAT
FDA SRS	6Y2XJ05B35
PubChem	123409

Resources

Reference

CAS NUMBER

26657-96-5

NORMAN SUSDAT

FDA SRS

6Y2XJ05B35

PubChem

123409

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

GLYCEROL PALMITATE

Structure

Physicochemical Descriptors

Cross References