EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID00972551

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID00972551


InChI Key	XZZWOTQMUOIIFX-UHFFFAOYSA-N
Smiles	O(C=1C=CC=CC1)P(OC=2C=CC=CC2)OC(C)COCC(OP(OC=3C=CC=CC3)OC=4C=CC=CC4)C
InChI	InChI=1/C30H32O7P2/c1-25(32-38(34-27-15-7-3-8-16-27)35-28-17-9-4-10-18-28)23-31-24-26(2)33-39(36-29-19-11-5-12-20-29)37-30-21-13-6-14-22-30/h3-22,25-26H,23-24H2,1-2H3

InChI Key

XZZWOTQMUOIIFX-UHFFFAOYSA-N

Smiles

O(C=1C=CC=CC1)P(OC=2C=CC=CC2)OC(C)COCC(OP(OC=3C=CC=CC3)OC=4C=CC=CC4)C

InChI

InChI=1/C30H32O7P2/c1-25(32-38(34-27-15-7-3-8-16-27)35-28-17-9-4-10-18-28)23-31-24-26(2)33-39(36-29-19-11-5-12-20-29)37-30-21-13-6-14-22-30/h3-22,25-26H,23-24H2,1-2H3

Property Name	Value
Molecular Formula	C30H32O7P2
Molecular Weight	566.16
AlogP	8.58
Hydrogen Bond Acceptor	7.0
Number of Rotational Bond	16.0
Polar Surface Area	64.61
Heavy Atoms	39.0

Property Name

Value

Molecular Formula

C30H32O7P2

Molecular Weight

566.16

AlogP

8.58

Hydrogen Bond Acceptor

7.0

Number of Rotational Bond

16.0

Polar Surface Area

64.61

Heavy Atoms

39.0

Resources	Reference
CAS NUMBER	57077-45-9
NORMAN SUSDAT
PubChem	14121743

Resources

Reference

CAS NUMBER

57077-45-9

NORMAN SUSDAT

PubChem

14121743

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

1,1'-DIMETHYL-2,2'-OXYDIETHYLENE BIS(DIPHENYL PHOSPHITE)

Structure

Physicochemical Descriptors

Cross References