ethyl 2-[(2R,3S,6S)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate

C24H28O5 — CID 14628822

IUPACethyl 2-[(2R,3S,6S)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate
SMILESCCOC(=O)C[C@H]1C=C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C24H28O5/c1-2-27-24(25)15-21-13-14-22(28-17-20-11-7-4-8-12-20)23(29-21)18-26-16-19-9-5-3-6-10-19/h3-14,21-23H,2,15-18H2,1H3/t21-,22+,23-/m1/s1
InChIKeyUYAWSMMZPIHXDH-XPWALMASSA-N
MW396.48 g/mol
LogP4.07
Rot. Bonds10

About ethyl 2-[(2R,3S,6S)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate

ethyl 2-[(2R,3S,6S)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate (PubChem CID 14628822) has the molecular formula C24H28O5 and a molecular weight of 396.48 g/mol. Its IUPAC name is ethyl 2-[(2R,3S,6S)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,3S,6S)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate
PubChem CID14628822
Molecular FormulaC24H28O5
Molecular Weight396.48 g/mol
Exact Mass396.19
IUPAC Nameethyl 2-[(2R,3S,6S)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate
SMILESCCOC(=O)C[C@H]1C=C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C24H28O5/c1-2-27-24(25)15-21-13-14-22(28-17-20-11-7-4-8-12-20)23(29-21)18-26-16-19-9-5-3-6-10-19/h3-14,21-23H,2,15-18H2,1H3/t21-,22+,23-/m1/s1
InChIKeyUYAWSMMZPIHXDH-XPWALMASSA-N
XLogP4.07
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 2-[(2R,3S,6S)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,3S,6S)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate?
The IUPAC name of ethyl 2-[(2R,3S,6S)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate (CID 14628822) is ethyl 2-[(2R,3S,6S)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,3S,6S)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,3S,6S)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate is CCOC(=O)C[C@H]1C=C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of ethyl 2-[(2R,3S,6S)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate?
The InChIKey is UYAWSMMZPIHXDH-XPWALMASSA-N. The full InChI is InChI=1S/C24H28O5/c1-2-27-24(25)15-21-13-14-22(28-17-20-11-7-4-8-12-20)23(29-21)18-26-16-19-9-5-3-6-10-19/h3-14,21-23H,2,15-18H2,1H3/t21-,22+,23-/m1/s1.
What are the key properties of ethyl 2-[(2R,3S,6S)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate?
ethyl 2-[(2R,3S,6S)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate has a molecular weight of 396.48 g/mol, XLogP of 4.07, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,3S,6S)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate is sourced from PubChem (CID 14628822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).