EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID20233530

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID20233530


InChI Key	UURSKAGLHMBPNT-SGIHWFKDSA-N
Smiles	OCCN(CCO)CC(O)C(O)C(O)C(O)CO
InChI	InChI=1S/C10H23NO7/c12-3-1-11(2-4-13)5-7(15)9(17)10(18)8(16)6-14/h7-10,12-18H,1-6H2/t7-,8-,9-,10+/m0/s1

InChI Key

UURSKAGLHMBPNT-SGIHWFKDSA-N

Smiles

OCCN(CCO)CC(O)C(O)C(O)C(O)CO

InChI

InChI=1S/C10H23NO7/c12-3-1-11(2-4-13)5-7(15)9(17)10(18)8(16)6-14/h7-10,12-18H,1-6H2/t7-,8-,9-,10+/m0/s1

Property Name	Value
Molecular Formula	C10H23N1O7
Molecular Weight	269.15
AlogP	-4.29
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	7.0
Number of Rotational Bond	10.0
Polar Surface Area	144.85
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C10H23N1O7

Molecular Weight

269.15

AlogP

-4.29

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

7.0

Number of Rotational Bond

10.0

Polar Surface Area

144.85

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	84540-49-8
NORMAN SUSDAT
PubChem	22787936
ChemSpider	18500191.0

Resources

Reference

CAS NUMBER

84540-49-8

NORMAN SUSDAT

PubChem

22787936

ChemSpider

18500191.0

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...

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Last update: Monday, 3 November 2025

1-(BIS(2-HYDROXYETHYL)AMINO)-1-DEOXY-D-GLUCITOL

Structure

Physicochemical Descriptors

Cross References