About (2S)-3-[4-[3-[4-(3-ethyl-3-hydroxypentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol;methyl 3-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propanoate
(2S)-3-[4-[3-[4-(3-ethyl-3-hydroxypentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol;methyl 3-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propanoate (PubChem CID 160590316) has the molecular formula C55H80O9
and a molecular weight of 885.24 g/mol. Its IUPAC name is (2S)-3-[4-[3-[4-(3-ethyl-3-hydroxypentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol;methyl 3-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propanoate.
Analyze (2S)-3-[4-[3-[4-(3-ethyl-3-hydroxypentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol;methyl 3-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propanoate with MolForge
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Frequently Asked Questions
What is the IUPAC name of (2S)-3-[4-[3-[4-(3-ethyl-3-hydroxypentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol;methyl 3-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propanoate?
The IUPAC name of (2S)-3-[4-[3-[4-(3-ethyl-3-hydroxypentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol;methyl 3-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propanoate (CID 160590316) is (2S)-3-[4-[3-[4-(3-ethyl-3-hydroxypentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol;methyl 3-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propanoate.
What is the SMILES notation for (2S)-3-[4-[3-[4-(3-ethyl-3-hydroxypentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol;methyl 3-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propanoate?
The canonical SMILES for (2S)-3-[4-[3-[4-(3-ethyl-3-hydroxypentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol;methyl 3-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propanoate is CCC(CC)(c1ccc(CCC(=O)OC)c(C)c1)c1ccc(OC[C@@H](O)CO)c(C)c1.CCC(O)(CC)CCc1ccc(C(CC)(CC)c2ccc(OC[C@@H](O)CO)c(C)c2)cc1C.
What is the InChIKey of (2S)-3-[4-[3-[4-(3-ethyl-3-hydroxypentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol;methyl 3-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propanoate?
The InChIKey is RCXSDPSHPIAFCI-YNQCQYGSSA-N. The full InChI is InChI=1S/C29H44O4.C26H36O5/c1-7-28(32,8-2)16-15-23-11-12-24(17-21(23)5)29(9-3,10-4)25-13-14-27(22(6)18-25)33-20-26(31)19-30;1-6-26(7-2,21-10-8-20(18(3)14-21)9-13-25(29)30-5)22-11-12-24(19(4)15-22)31-17-23(28)16-27/h11-14,17-18,26,30-32H,7-10,15-16,19-20H2,1-6H3;8,10-12,14-15,23,27-28H,6-7,9,13,16-17H2,1-5H3/t26-;23-/m00/s1.
What are the key properties of (2S)-3-[4-[3-[4-(3-ethyl-3-hydroxypentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol;methyl 3-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propanoate?
(2S)-3-[4-[3-[4-(3-ethyl-3-hydroxypentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol;methyl 3-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propanoate has a molecular weight of 885.24 g/mol, XLogP of 9.87, 24 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[4-[3-[4-(3-ethyl-3-hydroxypentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol;methyl 3-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propanoate is sourced from PubChem (CID 160590316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).