EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID10907475

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID10907475


InChI Key	WMGVTFWUDZXSKP-QBCMYANTSA-N
Smiles	O=C(O)C1OC(O[Si](O)(O)C)C(O)C(O)C1O
InChI	InChI=1/C7H14O9Si/c1-17(13,14)16-7-4(10)2(8)3(9)5(15-7)6(11)12/h2-5,7-10,13-14H,1H3,(H,11,12)

InChI Key

WMGVTFWUDZXSKP-QBCMYANTSA-N

Smiles

O=C(O)C1OC(O[Si](O)(O)C)C(O)C(O)C1O

InChI

InChI=1/C7H14O9Si/c1-17(13,14)16-7-4(10)2(8)3(9)5(15-7)6(11)12/h2-5,7-10,13-14H,1H3,(H,11,12)

Property Name	Value
Molecular Formula	C7H14O9Si
Molecular Weight	270.04
AlogP	-3.55
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	6.0
Number of Rotational Bond	3.0
Polar Surface Area	156.91
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C7H14O9Si

Molecular Weight

270.04

AlogP

-3.55

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

6.0

Number of Rotational Bond

3.0

Polar Surface Area

156.91

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	102397-69-3
NORMAN SUSDAT
PubChem	21119051

Resources

Reference

CAS NUMBER

102397-69-3

NORMAN SUSDAT

PubChem

21119051

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-O-(DIHYDROXYMETHYLSILYL)-ß-D-MANNOPYRANURONIC ACID

Structure

Physicochemical Descriptors

Cross References