EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2YR256969S
EPA CompTox	DTXSID6071168

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2YR256969S

EPA CompTox

DTXSID6071168


InChI Key	AWVHRDYKXCUVBI-UHFFFAOYSA-N
Smiles	OCN(CO)CCN(CO)CCC[Si](OC)(OC)OC
InChI	InChI=1/C11H28N2O6Si/c1-17-20(18-2,19-3)8-4-5-12(9-14)6-7-13(10-15)11-16/h14-16H,4-11H2,1-3H3

InChI Key

AWVHRDYKXCUVBI-UHFFFAOYSA-N

Smiles

OCN(CO)CCN(CO)CCC[Si](OC)(OC)OC

InChI

InChI=1/C11H28N2O6Si/c1-17-20(18-2,19-3)8-4-5-12(9-14)6-7-13(10-15)11-16/h14-16H,4-11H2,1-3H3

Property Name	Value
Molecular Formula	C11H28N2O6Si
Molecular Weight	312.17
AlogP	-1.29
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	13.0
Polar Surface Area	94.86
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C11H28N2O6Si

Molecular Weight

312.17

AlogP

-1.29

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

13.0

Polar Surface Area

94.86

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	68140-42-1
NORMAN SUSDAT
FDA SRS	2YR256969S
PubChem	109616

Resources

Reference

CAS NUMBER

68140-42-1

NORMAN SUSDAT

FDA SRS

2YR256969S

PubChem

109616

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

7,10-BIS(HYDROXYMETHYL)-3,3-DIMETHOXY-2-OXA-7,10-DIAZA-3-SILAUNDECAN-11-OL

Structure

Physicochemical Descriptors

Cross References