EcoDrugPlus


Synonyms	D-tagatose Tagatose
Status
Molecule Category	Free-form
UNII	T7A20Y888Y

Synonyms

D-tagatose

Tagatose

Status

Molecule Category

Free-form

UNII

T7A20Y888Y


InChI Key	BJHIKXHVCXFQLS-PQLUHFTBSA-N
Smiles	O=C(CO)[C@@H](O)[C@@H](O)[C@H](O)CO
InChI	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m1/s1

InChI Key

BJHIKXHVCXFQLS-PQLUHFTBSA-N

Smiles

O=C(CO)[C@@H](O)[C@@H](O)[C@H](O)CO

InChI

InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m1/s1

Property Name	Value
Molecular Formula	C6H12O6
Molecular Weight	180.16
AlogP	-3.38
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	5.0
Polar Surface Area	118.22
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C6H12O6

Molecular Weight

180.16

AlogP

-3.38

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

5.0

Number of Rotational Bond

5.0

Polar Surface Area

118.22

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

12.0

Resources	Reference
ChEBI	47693
ChEMBL	CHEMBL1236183
DrugBank	DB04936
FDA SRS	T7A20Y888Y
Human Metabolome Database	HMDB0003418
PDB	TAG
PubChem	92092
SureChEMBL	SCHEMBL4035
ZINC	ZINC000002516866

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

Human Metabolome Database

PDB

PubChem

SureChEMBL

ZINC

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

TAGATOSE

Structure

Physicochemical Descriptors

Cross References