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

C21H22O5 — CID 162670723

IUPAC(2S,3R)-2-[(1R)-2-hydroxy-1-phenylmethoxyethyl]-3-phenylmethoxy-2,3-dihydropyran-6-one
SMILESO=C1C=C[C@@H](OCc2ccccc2)[C@@H]([C@@H](CO)OCc2ccccc2)O1
InChIInChI=1S/C21H22O5/c22-13-19(25-15-17-9-5-2-6-10-17)21-18(11-12-20(23)26-21)24-14-16-7-3-1-4-8-16/h1-12,18-19,21-22H,13-15H2/t18-,19-,21+/m1/s1
InChIKeyJUAZIDZMSWKUFR-SBHAEUEKSA-N
MW354.40 g/mol
LogP2.63
Rot. Bonds8

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

(2S,3R)-2-[(1R)-2-hydroxy-1-phenylmethoxyethyl]-3-phenylmethoxy-2,3-dihydropyran-6-one (PubChem CID 162670723) has the molecular formula C21H22O5 and a molecular weight of 354.40 g/mol. Its IUPAC name is (2S,3R)-2-[(1R)-2-hydroxy-1-phenylmethoxyethyl]-3-phenylmethoxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S,3R)-2-[(1R)-2-hydroxy-1-phenylmethoxyethyl]-3-phenylmethoxy-2,3-dihydropyran-6-one
PubChem CID162670723
Molecular FormulaC21H22O5
Molecular Weight354.40 g/mol
Exact Mass354.15
IUPAC Name(2S,3R)-2-[(1R)-2-hydroxy-1-phenylmethoxyethyl]-3-phenylmethoxy-2,3-dihydropyran-6-one
SMILESO=C1C=C[C@@H](OCc2ccccc2)[C@@H]([C@@H](CO)OCc2ccccc2)O1
InChIInChI=1S/C21H22O5/c22-13-19(25-15-17-9-5-2-6-10-17)21-18(11-12-20(23)26-21)24-14-16-7-3-1-4-8-16/h1-12,18-19,21-22H,13-15H2/t18-,19-,21+/m1/s1
InChIKeyJUAZIDZMSWKUFR-SBHAEUEKSA-N
XLogP2.63
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(1R)-2-hydroxy-1-phenylmethoxyethyl]-3-phenylmethoxy-2,3-dihydropyran-6-one?
The IUPAC name of (2S,3R)-2-[(1R)-2-hydroxy-1-phenylmethoxyethyl]-3-phenylmethoxy-2,3-dihydropyran-6-one (CID 162670723) is (2S,3R)-2-[(1R)-2-hydroxy-1-phenylmethoxyethyl]-3-phenylmethoxy-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S,3R)-2-[(1R)-2-hydroxy-1-phenylmethoxyethyl]-3-phenylmethoxy-2,3-dihydropyran-6-one?
The canonical SMILES for (2S,3R)-2-[(1R)-2-hydroxy-1-phenylmethoxyethyl]-3-phenylmethoxy-2,3-dihydropyran-6-one is O=C1C=C[C@@H](OCc2ccccc2)[C@@H]([C@@H](CO)OCc2ccccc2)O1.
What is the InChIKey of (2S,3R)-2-[(1R)-2-hydroxy-1-phenylmethoxyethyl]-3-phenylmethoxy-2,3-dihydropyran-6-one?
The InChIKey is JUAZIDZMSWKUFR-SBHAEUEKSA-N. The full InChI is InChI=1S/C21H22O5/c22-13-19(25-15-17-9-5-2-6-10-17)21-18(11-12-20(23)26-21)24-14-16-7-3-1-4-8-16/h1-12,18-19,21-22H,13-15H2/t18-,19-,21+/m1/s1.
What are the key properties of (2S,3R)-2-[(1R)-2-hydroxy-1-phenylmethoxyethyl]-3-phenylmethoxy-2,3-dihydropyran-6-one?
(2S,3R)-2-[(1R)-2-hydroxy-1-phenylmethoxyethyl]-3-phenylmethoxy-2,3-dihydropyran-6-one has a molecular weight of 354.40 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(1R)-2-hydroxy-1-phenylmethoxyethyl]-3-phenylmethoxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 162670723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).