EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID70224655

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID70224655


InChI Key	QHRUTSDJBYFWPQ-SLPGGIOYSA-N
Smiles	OC1COC2C(Cl)COC12
InChI	InChI=1S/C6H9ClO3/c7-3-1-9-6-4(8)2-10-5(3)6/h3-6,8H,1-2H2/t3-,4-,5+,6+/m1/s1

InChI Key

QHRUTSDJBYFWPQ-SLPGGIOYSA-N

Smiles

OC1COC2C(Cl)COC12

InChI

InChI=1S/C6H9ClO3/c7-3-1-9-6-4(8)2-10-5(3)6/h3-6,8H,1-2H2/t3-,4-,5+,6+/m1/s1

Property Name	Value
Molecular Formula	C6H9Cl1O3
Molecular Weight	164.02
AlogP	-0.25
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Polar Surface Area	38.69
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C6H9Cl1O3

Molecular Weight

164.02

AlogP

-0.25

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Polar Surface Area

38.69

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	73952-83-7
NORMAN SUSDAT
PubChem	56841195
ChemSpider	21162977.0

Resources

Reference

CAS NUMBER

73952-83-7

NORMAN SUSDAT

PubChem

56841195

ChemSpider

21162977.0

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

1,4:3,6-DIANHYDRO-2-CHLORO-2-DEOXY-D-GLUCITOL

Structure

Physicochemical Descriptors

Cross References