EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	DL6OZ476V3

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

DL6OZ476V3


InChI Key	JFVMOLRNQCNLCH-UHFFFAOYSA-L
Smiles	O.O.O.[K+].[K+].[O-]C(=O)C1O[Sb]2OC(C(O[Sb]3OC1C(=O)O3)C([O-])=O)C(=O)O2
InChI	InChI=1S/2C4H4O6.2Sb/c25-1(3(7)8)2(6)4(9)10;;/h21-2H,(H,7,8)(H,9,10);;/q2-2;2+3/p-2

InChI Key

JFVMOLRNQCNLCH-UHFFFAOYSA-L

Smiles

O.O.O.[K+].[K+].[O-]C(=O)C1O[Sb]2OC(C(O[Sb]3OC1C(=O)O3)C([O-])=O)C(=O)O2

InChI

InChI=1S/2C4H4O6.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;/h2*1-2H,(H,7,8)(H,9,10);;/q2*-2;2*+3/p-2

Property Name	Value
Molecular Formula	C8H6O12Sb2
Molecular Weight	535.79
AlogP	-10.2
Hydrogen Bond Acceptor	10.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	247.1
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C8H6O12Sb2

Molecular Weight

535.79

AlogP

-10.2

Hydrogen Bond Acceptor

10.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

247.1

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	28300-74-5
NORMAN SUSDAT
FDA SRS	DL6OZ476V3

Resources

Reference

CAS NUMBER

28300-74-5

NORMAN SUSDAT

FDA SRS

DL6OZ476V3

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

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Structure

Physicochemical Descriptors

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