EcoDrugPlus


Synonyms	Ut-231b
Status
Molecule Category	Mixture
UNII	86R4PEJ40Z
EPA CompTox	DTXSID40143001

Synonyms

Ut-231b

Status

Molecule Category

Mixture

UNII

86R4PEJ40Z

EPA CompTox

DTXSID40143001


InChI Key	BBIRATBJZBAXFS-ZOBORPQBSA-N
Smiles	CCOCCCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1C
InChI	InChI=1S/C14H29NO4/c1-3-19-9-7-5-4-6-8-15-10-12(16)14(18)13(17)11(15)2/h11-14,16-18H,3-10H2,1-2H3/t11-,12+,13+,14-/m1/s1

InChI Key

BBIRATBJZBAXFS-ZOBORPQBSA-N

Smiles

CCOCCCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1C

InChI

InChI=1S/C14H29NO4/c1-3-19-9-7-5-4-6-8-15-10-12(16)14(18)13(17)11(15)2/h11-14,16-18H,3-10H2,1-2H3/t11-,12+,13+,14-/m1/s1

Property Name	Value
Molecular Formula	C18H35NO10
Molecular Weight	425.48
AlogP	0.37
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	8.0
Polar Surface Area	73.16
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C18H35NO10

Molecular Weight

425.48

AlogP

0.37

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

8.0

Polar Surface Area

73.16

Molecular species

BASE

Aromatic Rings

0.0

Heavy Atoms

19.0

Resources	Reference
ChEMBL	CHEMBL4297332
FDA SRS	86R4PEJ40Z
PubChem	9802483
ChEMBL	CHEMBL4300049
FDA SRS	MK831RYX9D
PubChem	9802483
SureChEMBL	SCHEMBL12149499

Resources

Reference

ChEMBL

FDA SRS

PubChem

ChEMBL

FDA SRS

PubChem

SureChEMBL

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

UT-231B

Structure

Physicochemical Descriptors

Cross References