TOCOPHEROL ACETATE

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Synonyms
Status
Molecule Category Free-form
UNII 9E8X80D2L0
Parent Compound:

Structure

InChI Key ZAKOWWREFLAJOT-ADUHFSDSSA-N
Smiles CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
InChI
InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H52O3
Molecular Weight 472.75
AlogP 9.06
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 13.0
Polar Surface Area 35.53
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 34.0

Cross References

Resources Reference
ChEMBL CHEMBL3989859
FDA SRS 9E8X80D2L0
CONTENTS