96187-75-6 Purity
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Specification
The molecular formula is C26H28O5.
The molecular weight is 420.5 g/mol.
The IUPAC name is (2S,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol.
The InChI is InChI=1S/C26H28O5/c27-26-25(30-18-22-14-8-3-9-15-22)24(29-17-21-12-6-2-7-13-21)23(31-26)19-28-16-20-10-4-1-5-11-20/h1-15,23-27H,16-19H2/t23-,24-,25+,26-/m0/s1.
The InChIKey is NAQUAXSCBJPECG-SSUZURRFSA-N.
The Canonical SMILES is C1=CC=C(C=C1)COCC2C(C(C(O2)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4.
The XLogP3-AA value is 3.6.
There is 1 hydrogen bond donor count.
There are 5 hydrogen bond acceptor counts.
Yes, it is a canonicalized compound.