BIS[13-HYDROXY-7-[2-(2-HYDROXYPROPOXY)-1-METHYLETHOXY]-1,5,9-TRIMETHYL-3,6,8,11-TETRAOXA-7-PHOSPHATETRADEC-1-YL][2-(2-HYDROXYPROPOXY)-1-METHYLETHYL]PHOSPHINE

/static/temp/default.svg Search structure
Keyword(s): Plastic additives ; Food Contact Chemicals
Molecule Category Free-form

Structure

InChI Key AKMQCIVYHBOGHO-UHFFFAOYSA-N
Smiles OC(C)COCC(OP(OC(C)COCC(O)C)OC(C)COCC(P(C(C)COCC(O)C)C(C)COCC(OP(OC(C)COCC(O)C)OC(C)COCC(O)C)C)C)C
InChI
InChI=1/C42H89O18P3/c1-29(43)15-48-20-34(6)55-62(56-35(7)21-49-16-30(2)44)59-38(10)24-53-27-41(13)61(40(12)26-52-19-33(5)47)42(14)28-54-25-39(11)60-63(57-36(8)22-50-17-31(3)45)58-37(9)23-51-18-32(4)46/h29-47H,15-28H2,1-14H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C42H89O18P3
Molecular Weight 974.53
AlogP 5.54
Hydrogen Bond Acceptor 18.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 43.0
Polar Surface Area 221.14
Heavy Atoms 63.0

Cross References

Resources Reference
CAS NUMBER 13474-96-9
NORMAN SUSDAT
PubChem 102601623
CONTENTS