EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	01S2G2C1E4
EPA CompTox	DTXSID90969511

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

01S2G2C1E4

EPA CompTox

DTXSID90969511


InChI Key	FGUZFFWTBWJBIL-XWVZOOPGSA-N
Smiles	[H][C@](CO)(OC(=O)CCCCCCCCCCCCCCC(C)C)[C@@]1([H])OC[C@]([H])(O)[C@@]1([H])O
InChI	InChI=1S/C24H46O6/c1-19(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22(27)30-21(17-25)24-23(28)20(26)18-29-24/h19-21,23-26,28H,3-18H2,1-2H3/t20-,21+,23+,24+/m0/s1

InChI Key

FGUZFFWTBWJBIL-XWVZOOPGSA-N

Smiles

[H][C@](CO)(OC(=O)CCCCCCCCCCCCCCC(C)C)[C@@]1([H])OC[C@]([H])(O)[C@@]1([H])O

InChI

InChI=1S/C24H46O6/c1-19(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22(27)30-21(17-25)24-23(28)20(26)18-29-24/h19-21,23-26,28H,3-18H2,1-2H3/t20-,21+,23+,24+/m0/s1

Property Name	Value
Molecular Formula	C24H46O6
Molecular Weight	430.33
AlogP	4.13
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	18.0
Polar Surface Area	96.22
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C24H46O6

Molecular Weight

430.33

AlogP

4.13

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

18.0

Polar Surface Area

96.22

Heavy Atoms

30.0

Resources	Reference
CAS NUMBER	54392-26-6
NORMAN SUSDAT
FDA SRS	01S2G2C1E4
PubChem	53798634

Resources

Reference

CAS NUMBER

54392-26-6

NORMAN SUSDAT

FDA SRS

01S2G2C1E4

PubChem

53798634

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

SORBITAN MONOISOSTEARATE

Structure

Physicochemical Descriptors

Cross References