Apomine
4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-ditert-butylphenol
Molecular Identity
Apomine
4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-ditert-butylphenol
PubChem CID: 176405
2D Structure
Properties
C28H52O7P2
Molecular Formula
562.70
Molecular Weight
g/mol
562.3188
Exact Mass
Da
7
XLogP
Above Lipinski threshold
91.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
705
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)OP(=O)(C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)P(=O)(OC(C)C)OC(C)C)OC(C)CIsomeric SMILES
SMILES: CC(C)OP(=O)(C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)P(=O)(OC(C)C)OC(C)C)OC(C)CSynonyms(20)
Apomine126411-13-0SR-45023ASR-9223iSR 9223iSKF 99085JQ95208805tetraisopropyl 2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethyl-1,1-biphosphonatePhosphonic acid, (2-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)ethylidene)bis-, tetrakis(1-methylethyl) esterSR-45023A (Apomine)RefChem:113482tetraisopropyl 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-ethyl-1,1-bisphosphonateTetraisopropyl-2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethylidene-1,1-diphosphonatebis(propan-2-yl) (1-(bis(propan-2-yloxy)phosphoryl)-2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethyl)phosphonate4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-ditert-butylphenol
Data from PubChem (NCBI)
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