EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	P8XHX4S004
EPA CompTox	DTXSID20185404

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

P8XHX4S004

EPA CompTox

DTXSID20185404


InChI Key	QWJKEQVWXSYDJA-PZRMXXKTSA-N
Smiles	COCC1OC(O)C(O)C(O)C1O
InChI	InChI=1S/C7H14O6/c1-12-2-3-4(8)5(9)6(10)7(11)13-3/h3-11H,2H2,1H3/t3-,4+,5+,6+,7+/m1/s1

InChI Key

QWJKEQVWXSYDJA-PZRMXXKTSA-N

Smiles

COCC1OC(O)C(O)C(O)C1O

InChI

InChI=1S/C7H14O6/c1-12-2-3-4(8)5(9)6(10)7(11)13-3/h3-11H,2H2,1H3/t3-,4+,5+,6+,7+/m1/s1

Property Name	Value
Molecular Formula	C7H14O6
Molecular Weight	194.08
AlogP	-2.57
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	2.0
Polar Surface Area	99.38
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C7H14O6

Molecular Weight

194.08

AlogP

-2.57

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

2.0

Polar Surface Area

99.38

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	31505-26-7
NORMAN SUSDAT
FDA SRS	P8XHX4S004
PubChem	44269524
ChemSpider	21229738.0

Resources

Reference

CAS NUMBER

31505-26-7

NORMAN SUSDAT

FDA SRS

P8XHX4S004

PubChem

44269524

ChemSpider

21229738.0

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

6-O-METHYL-ALPHA-D-GALACTOPYRANOSE

Structure

Physicochemical Descriptors

Cross References