(2R,3S)-3-hydroxy-2-[(1R,2R)-2-hydroxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one

C20H20O5 — CID 10617106

IUPAC(2R,3S)-3-hydroxy-2-[(1R,2R)-2-hydroxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one
SMILESO=C1C=C[C@H](O)[C@H]([C@H](OCc2ccccc2)[C@H](O)c2ccccc2)O1
InChIInChI=1S/C20H20O5/c21-16-11-12-17(22)25-19(16)20(18(23)15-9-5-2-6-10-15)24-13-14-7-3-1-4-8-14/h1-12,16,18-21,23H,13H2/t16-,18+,19+,20+/m0/s1
InChIKeyCEEBCGHHTWSLQE-MTFMMBMASA-N
MW340.38 g/mol
LogP2.15
Rot. Bonds6

About (2R,3S)-3-hydroxy-2-[(1R,2R)-2-hydroxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one

(2R,3S)-3-hydroxy-2-[(1R,2R)-2-hydroxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one (PubChem CID 10617106) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-2-[(1R,2R)-2-hydroxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-2-[(1R,2R)-2-hydroxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one
PubChem CID10617106
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name(2R,3S)-3-hydroxy-2-[(1R,2R)-2-hydroxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one
SMILESO=C1C=C[C@H](O)[C@H]([C@H](OCc2ccccc2)[C@H](O)c2ccccc2)O1
InChIInChI=1S/C20H20O5/c21-16-11-12-17(22)25-19(16)20(18(23)15-9-5-2-6-10-15)24-13-14-7-3-1-4-8-14/h1-12,16,18-21,23H,13H2/t16-,18+,19+,20+/m0/s1
InChIKeyCEEBCGHHTWSLQE-MTFMMBMASA-N
XLogP2.15
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-3-hydroxy-2-[(1R,2R)-2-hydroxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one with MolForge

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Related Compounds

(2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-hydroxy-2,3-dihydropyran-6-one
CID 72705497
(2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-3-ethoxy-2,3-dihydropyran-6-one
CID 122366245
[(1R,2R)-2-hydroxy-2-[(3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] acetate
CID 10379554
2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one
CID 129252172
(4R,5S)-5-[(1S,2R,3R)-3-hydroxy-3-phenyl-1,2-bis(phenylmethoxy)propyl]-4-phenylmethoxyoxolan-2-ol
CID 101390620
benzyl N-[(S)-[(2S)-5-oxo-2H-furan-2-yl]-phenylmethyl]carbamate
CID 15174177
2-phenyl-2-phenylmethoxyacetaldehyde
CID 11117750
(1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol
CID 102333800
(4R)-3,3-dimethyl-4-[(1S)-2-methyl-1-phenylmethoxypropyl]oxetan-2-one
CID 122395053
(3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one
CID 139605652
(2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one
CID 135026714
4-(1-phenylmethoxyethyl)benzoic acid
CID 174549407

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-2-[(1R,2R)-2-hydroxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R,3S)-3-hydroxy-2-[(1R,2R)-2-hydroxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one (CID 10617106) is (2R,3S)-3-hydroxy-2-[(1R,2R)-2-hydroxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R,3S)-3-hydroxy-2-[(1R,2R)-2-hydroxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R,3S)-3-hydroxy-2-[(1R,2R)-2-hydroxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one is O=C1C=C[C@H](O)[C@H]([C@H](OCc2ccccc2)[C@H](O)c2ccccc2)O1.
What is the InChIKey of (2R,3S)-3-hydroxy-2-[(1R,2R)-2-hydroxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one?
The InChIKey is CEEBCGHHTWSLQE-MTFMMBMASA-N. The full InChI is InChI=1S/C20H20O5/c21-16-11-12-17(22)25-19(16)20(18(23)15-9-5-2-6-10-15)24-13-14-7-3-1-4-8-14/h1-12,16,18-21,23H,13H2/t16-,18+,19+,20+/m0/s1.
What are the key properties of (2R,3S)-3-hydroxy-2-[(1R,2R)-2-hydroxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one?
(2R,3S)-3-hydroxy-2-[(1R,2R)-2-hydroxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one has a molecular weight of 340.38 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-2-[(1R,2R)-2-hydroxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 10617106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).