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Chemical structure of Tris(2,4-di-tert-butylphenyl)phosphate

GC61355

Tris(2,4-di-tert-butylphenyl)phosphate

Also known as tris(2,4-ditert-butylphenyl) phosphate

Tris(2,4-di-tert-butylphenyl)phosphate is an active compound from the leaves of Vitex negundo L

ChemicalCAS95906-11-9MW662.92FormulaC42H63O4P
CAS number
95906-11-9
Molecular weight
662.92
Formula
C42H63O4P
Solubility
DMSO： 2 mg/mL (3·02 mM)
InChIKey
AZSKHRTUXHLAHS-UHFFFAOYSA-N
Catalogue number
GC61355
Brand
GLPBIO
Computed properties PubChem CID 14572930 · XLogP 15 · TPSA 44.8 Ų · H-bond donors 0
XLogP
15
TPSA
44.8 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
47

SMILES CC(C)(C)C1=CC(=C(C=C1)OP(=O)(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C

Computed descriptors from PubChem (CID 14572930), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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