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

Structure

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H32O7P2
Molecular Weight 566.16
AlogP 8.58
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 16.0
Polar Surface Area 64.61
Molecular species None
Aromatic Rings 4.0
Heavy Atoms 39.0

Cross References

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