(2S)-2-[(1S,2S)-1-hydroxy-2-[(1R,2S)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-2,3-dihydropyran-6-one

C26H26O7 — CID 155527499

IUPAC(2S)-2-[(1S,2S)-1-hydroxy-2-[(1R,2S)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@@H]([C@H](O)[C@H](O[C@@H](c2ccccc2)[C@@H](O)[C@@H]2CC=CC(=O)O2)c2ccccc2)O1
InChIInChI=1S/C26H26O7/c27-21-15-7-13-19(31-21)23(29)25(17-9-3-1-4-10-17)33-26(18-11-5-2-6-12-18)24(30)20-14-8-16-22(28)32-20/h1-12,15-16,19-20,23-26,29-30H,13-14H2/t19-,20-,23-,24-,25-,26+/m0/s1
InChIKeyFFAHIROHRBNAFE-IHZPVSPSSA-N
MW450.49 g/mol
LogP2.95
Rot. Bonds8

About (2S)-2-[(1S,2S)-1-hydroxy-2-[(1R,2S)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-2,3-dihydropyran-6-one

(2S)-2-[(1S,2S)-1-hydroxy-2-[(1R,2S)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-2,3-dihydropyran-6-one (PubChem CID 155527499) has the molecular formula C26H26O7 and a molecular weight of 450.49 g/mol. Its IUPAC name is (2S)-2-[(1S,2S)-1-hydroxy-2-[(1R,2S)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-2-[(1S,2S)-1-hydroxy-2-[(1R,2S)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-2,3-dihydropyran-6-one
PubChem CID155527499
Molecular FormulaC26H26O7
Molecular Weight450.49 g/mol
Exact Mass450.17
IUPAC Name(2S)-2-[(1S,2S)-1-hydroxy-2-[(1R,2S)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@@H]([C@H](O)[C@H](O[C@@H](c2ccccc2)[C@@H](O)[C@@H]2CC=CC(=O)O2)c2ccccc2)O1
InChIInChI=1S/C26H26O7/c27-21-15-7-13-19(31-21)23(29)25(17-9-3-1-4-10-17)33-26(18-11-5-2-6-12-18)24(30)20-14-8-16-22(28)32-20/h1-12,15-16,19-20,23-26,29-30H,13-14H2/t19-,20-,23-,24-,25-,26+/m0/s1
InChIKeyFFAHIROHRBNAFE-IHZPVSPSSA-N
XLogP2.95
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[(1S,2S)-1-hydroxy-2-[(1R,2S)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-2,3-dihydropyran-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S,2S)-1-hydroxy-2-[(1R,2S)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2S)-2-[(1S,2S)-1-hydroxy-2-[(1R,2S)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-2,3-dihydropyran-6-one (CID 155527499) is (2S)-2-[(1S,2S)-1-hydroxy-2-[(1R,2S)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S)-2-[(1S,2S)-1-hydroxy-2-[(1R,2S)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2S)-2-[(1S,2S)-1-hydroxy-2-[(1R,2S)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-2,3-dihydropyran-6-one is O=C1C=CC[C@@H]([C@H](O)[C@H](O[C@@H](c2ccccc2)[C@@H](O)[C@@H]2CC=CC(=O)O2)c2ccccc2)O1.
What is the InChIKey of (2S)-2-[(1S,2S)-1-hydroxy-2-[(1R,2S)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-2,3-dihydropyran-6-one?
The InChIKey is FFAHIROHRBNAFE-IHZPVSPSSA-N. The full InChI is InChI=1S/C26H26O7/c27-21-15-7-13-19(31-21)23(29)25(17-9-3-1-4-10-17)33-26(18-11-5-2-6-12-18)24(30)20-14-8-16-22(28)32-20/h1-12,15-16,19-20,23-26,29-30H,13-14H2/t19-,20-,23-,24-,25-,26+/m0/s1.
What are the key properties of (2S)-2-[(1S,2S)-1-hydroxy-2-[(1R,2S)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-2,3-dihydropyran-6-one?
(2S)-2-[(1S,2S)-1-hydroxy-2-[(1R,2S)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-2,3-dihydropyran-6-one has a molecular weight of 450.49 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S,2S)-1-hydroxy-2-[(1R,2S)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 155527499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).