EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	G5C4M8847E
EPA CompTox	DTXSID90154283

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

G5C4M8847E

EPA CompTox

DTXSID90154283


InChI Key	LWRDQHOZTAOILO-UHFFFAOYSA-N
Smiles	O=P(O)(O)C(NC1CCCCCC1)P(=O)(O)O
InChI	InChI=1S/C8H19NO6P2/c10-16(11,12)8(17(13,14)15)9-7-5-3-1-2-4-6-7/h7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15)

InChI Key

LWRDQHOZTAOILO-UHFFFAOYSA-N

Smiles

O=P(O)(O)C(NC1CCCCCC1)P(=O)(O)O

InChI

InChI=1S/C8H19NO6P2/c10-16(11,12)8(17(13,14)15)9-7-5-3-1-2-4-6-7/h7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15)

Property Name	Value
Molecular Formula	C8H19NO6P2
Molecular Weight	287.07
AlogP	0.94
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	4.0
Polar Surface Area	127.09
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C8H19NO6P2

Molecular Weight

287.07

AlogP

0.94

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

5.0

Number of Rotational Bond

4.0

Polar Surface Area

127.09

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	124351-85-5
NORMAN SUSDAT
FDA SRS	G5C4M8847E
PubChem	3699

Resources

Reference

CAS NUMBER

124351-85-5

NORMAN SUSDAT

FDA SRS

G5C4M8847E

PubChem

3699

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

INCADRONIC ACID

Structure

Physicochemical Descriptors

Cross References