EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	B350MC02GZ

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

B350MC02GZ


InChI Key	FKCRAVPPBFWEJD-XVFCMESISA-N
Smiles	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(=O)nc(cc1C(=O)O)O
InChI	InChI=1S/C10H12N2O8/c13-2-4-6(15)7(16)8(20-4)12-3(9(17)18)1-5(14)11-10(12)19/h1,4,6-8,13,15-16H,2H2,(H,17,18)(H,11,14,19)/t4-,6-,7-,8-/m1/s1

InChI Key

FKCRAVPPBFWEJD-XVFCMESISA-N

Smiles

OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(=O)nc(cc1C(=O)O)O

InChI

InChI=1S/C10H12N2O8/c13-2-4-6(15)7(16)8(20-4)12-3(9(17)18)1-5(14)11-10(12)19/h1,4,6-8,13,15-16H,2H2,(H,17,18)(H,11,14,19)/t4-,6-,7-,8-/m1/s1

Property Name	Value
Molecular Formula	C10H12N2O8
Molecular Weight	288.06
AlogP	-2.74
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	3.0
Polar Surface Area	162.34
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C10H12N2O8

Molecular Weight

288.06

AlogP

-2.74

Hydrogen Bond Acceptor

9.0

Hydrogen Bond Donor

5.0

Number of Rotational Bond

3.0

Polar Surface Area

162.34

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	314-50-1
NORMAN SUSDAT
FDA SRS	B350MC02GZ
PubChem	92751
ChemSpider	83729.0

Resources

Reference

CAS NUMBER

314-50-1

NORMAN SUSDAT

FDA SRS

B350MC02GZ

PubChem

92751

ChemSpider

83729.0

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

OROTIDINE

Structure

Physicochemical Descriptors

Cross References