EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	U3LMU4AN21
EPA CompTox	DTXSID701028159

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

U3LMU4AN21

EPA CompTox

DTXSID701028159


InChI Key	PEEKVIHQOHJITP-UHFFFAOYSA-N
Smiles	B(O)(O)O.C(C(CO)O)O
InChI	InChI=1S/C3H8O3.BH3O3/c4-1-3(6)2-5;2-1(3)4/h3-6H,1-2H2;2-4H

InChI Key

PEEKVIHQOHJITP-UHFFFAOYSA-N

Smiles

B(O)(O)O.C(C(CO)O)O

InChI

InChI=1S/C3H8O3.BH3O3/c4-1-3(6)2-5;2-1(3)4/h3-6H,1-2H2;2-4H

Property Name	Value
Molecular Formula	C3H11BO6
Molecular Weight	154.06
AlogP	-3.72
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	6.0
Number of Rotational Bond	2.0
Polar Surface Area	121.38
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C3H11BO6

Molecular Weight

154.06

AlogP

-3.72

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

6.0

Number of Rotational Bond

2.0

Polar Surface Area

121.38

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	25067-81-6
NORMAN SUSDAT
FDA SRS	U3LMU4AN21
PubChem	6451841

Resources

Reference

CAS NUMBER

25067-81-6

NORMAN SUSDAT

FDA SRS

U3LMU4AN21

PubChem

6451841

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

GLYCERYL BORATE

Structure

Physicochemical Descriptors

Cross References