[(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] acetate

C23H24O6 — CID 162676300

IUPAC[(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] acetate
SMILESCC(=O)OC[C@@H](OCc1ccccc1)[C@H]1OC(=O)C=C[C@H]1OCc1ccccc1
InChIInChI=1S/C23H24O6/c1-17(24)26-16-21(28-15-19-10-6-3-7-11-19)23-20(12-13-22(25)29-23)27-14-18-8-4-2-5-9-18/h2-13,20-21,23H,14-16H2,1H3/t20-,21-,23+/m1/s1
InChIKeyRDHYVUCKCZBSDC-XPNTWCBSSA-N
MW396.44 g/mol
LogP3.20
Rot. Bonds9

About [(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] acetate

[(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] acetate (PubChem CID 162676300) has the molecular formula C23H24O6 and a molecular weight of 396.44 g/mol. Its IUPAC name is [(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] acetate.

Molecular Properties

Compound Name[(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] acetate
PubChem CID162676300
Molecular FormulaC23H24O6
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Name[(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] acetate
SMILESCC(=O)OC[C@@H](OCc1ccccc1)[C@H]1OC(=O)C=C[C@H]1OCc1ccccc1
InChIInChI=1S/C23H24O6/c1-17(24)26-16-21(28-15-19-10-6-3-7-11-19)23-20(12-13-22(25)29-23)27-14-18-8-4-2-5-9-18/h2-13,20-21,23H,14-16H2,1H3/t20-,21-,23+/m1/s1
InChIKeyRDHYVUCKCZBSDC-XPNTWCBSSA-N
XLogP3.20
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] acetate?
The IUPAC name of [(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] acetate (CID 162676300) is [(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] acetate.
What is the SMILES notation for [(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] acetate?
The canonical SMILES for [(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] acetate is CC(=O)OC[C@@H](OCc1ccccc1)[C@H]1OC(=O)C=C[C@H]1OCc1ccccc1.
What is the InChIKey of [(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] acetate?
The InChIKey is RDHYVUCKCZBSDC-XPNTWCBSSA-N. The full InChI is InChI=1S/C23H24O6/c1-17(24)26-16-21(28-15-19-10-6-3-7-11-19)23-20(12-13-22(25)29-23)27-14-18-8-4-2-5-9-18/h2-13,20-21,23H,14-16H2,1H3/t20-,21-,23+/m1/s1.
What are the key properties of [(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] acetate?
[(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] acetate has a molecular weight of 396.44 g/mol, XLogP of 3.20, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2S,3R)-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]-2-phenylmethoxyethyl] acetate is sourced from PubChem (CID 162676300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).