Mb07811
4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol
Molecular Identity
Mb07811
4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol
PubChem CID: 15942005
2D Structure
Properties
C28H32ClO5P
Molecular Formula
515.00
Molecular Weight
g/mol
514.1676
Exact Mass
Da
6.9
XLogP
Above Lipinski threshold
65
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
707
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OCP3(=O)OCCC(O3)C4=CC(=CC=C4)ClIsomeric SMILES
SMILES: CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OC[P@@]3(=O)OCC[C@H](O3)C4=CC(=CC=C4)ClSynonyms(20)
MB07811VK2809MB 07811RefChem:810701MB-07811852948-13-1VK-2809UNII-3Z11398FNQ(2R,4S)-4-(3-Chlorophenyl)-2-((4-(4-hydroxy-3-isopropylbenzyl)-3,5-dimethylphenoxy)methyl)-1,3,2-dioxaphosphinane 2-oxideMB-07811 (VK-2809)3Z11398FNQPhenol, 4-((4-(((2R,4S)-4-(3-chlorophenyl)-2-oxido-1,3,2-dioxaphosphorinan-2-yl)methoxy)-2,6-dimethylphenyl)methyl)-2-(1-methylethyl)-4-[[4-[[(2R,4S)-4-(3-Chlorophenyl)-2-oxido-1,3,2-dioxaphosphorinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-(1-methylethyl)phenol4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenolPhenol, 4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxido-1,3,2-dioxaphosphorinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-(1-methylethyl)-
Data from PubChem (NCBI)
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