EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2Q5JOU7T53
EPA CompTox	DTXSID6048541

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2Q5JOU7T53

EPA CompTox

DTXSID6048541


InChI Key	NSKGQURZWSPSBC-VVPCINPTSA-N
Smiles	C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N
InChI	InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1

InChI Key

NSKGQURZWSPSBC-VVPCINPTSA-N

Smiles

C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N

InChI

InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1

Property Name	Value
Molecular Formula	C17H34N4O10
Molecular Weight	454.23
AlogP	-6.65
Hydrogen Bond Acceptor	14.0
Hydrogen Bond Donor	10.0
Number of Rotational Bond	6.0
Polar Surface Area	262.38
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C17H34N4O10

Molecular Weight

454.23

AlogP

-6.65

Hydrogen Bond Acceptor

14.0

Hydrogen Bond Donor

10.0

Number of Rotational Bond

6.0

Polar Surface Area

262.38

Heavy Atoms

31.0

Resources	Reference
CAS NUMBER	25546-65-0
NORMAN SUSDAT
FDA SRS	2Q5JOU7T53
PubChem	33042
ChemSpider	30581.0

Resources

Reference

CAS NUMBER

25546-65-0

NORMAN SUSDAT

FDA SRS

2Q5JOU7T53

PubChem

33042

ChemSpider

30581.0

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

RIBOSTAMYCIN

Structure

Physicochemical Descriptors

Cross References