EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	7E9N218HR0

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

7E9N218HR0


InChI Key	FWLZLRFPZLTBRF-UHFFFAOYSA-N
Smiles	CCCCN(CCCC)P(=O)(O)OP(=O)(O)O
InChI	InChI=1S/C8H21NO6P2/c1-3-5-7-9(8-6-4-2)16(10,11)15-17(12,13)14/h3-8H2,1-2H3,(H,10,11)(H2,12,13,14)

InChI Key

FWLZLRFPZLTBRF-UHFFFAOYSA-N

Smiles

CCCCN(CCCC)P(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C8H21NO6P2/c1-3-5-7-9(8-6-4-2)16(10,11)15-17(12,13)14/h3-8H2,1-2H3,(H,10,11)(H2,12,13,14)

Property Name	Value
Molecular Formula	C8H21NO6P2
Molecular Weight	289.08
AlogP	2.1
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	9.0
Polar Surface Area	107.3
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C8H21NO6P2

Molecular Weight

289.08

AlogP

2.1

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

9.0

Polar Surface Area

107.3

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	10024-88-1
NORMAN SUSDAT
FDA SRS	7E9N218HR0
PubChem	72941491

Resources

Reference

CAS NUMBER

10024-88-1

NORMAN SUSDAT

FDA SRS

7E9N218HR0

PubChem

72941491

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

MONODIBUTYLAMINE PYROPHOSPHATE

Structure

Physicochemical Descriptors

Cross References