methyl 3-[(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]propanoate

C31H34O6 — CID 100981942

IUPACmethyl 3-[(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]propanoate
SMILESCOC(=O)CCC1=C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C31H34O6/c1-33-30(32)18-17-27-19-28(35-21-25-13-7-3-8-14-25)31(36-22-26-15-9-4-10-16-26)29(37-27)23-34-20-24-11-5-2-6-12-24/h2-16,19,28-29,31H,17-18,20-23H2,1H3/t28-,29-,31-/m1/s1
InChIKeyBEUOBMFNVJFFNY-QPWMFTQFSA-N
MW502.61 g/mol
LogP5.61
Rot. Bonds13

About methyl 3-[(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]propanoate

methyl 3-[(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]propanoate (PubChem CID 100981942) has the molecular formula C31H34O6 and a molecular weight of 502.61 g/mol. Its IUPAC name is methyl 3-[(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]propanoate
PubChem CID100981942
Molecular FormulaC31H34O6
Molecular Weight502.61 g/mol
Exact Mass502.24
IUPAC Namemethyl 3-[(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]propanoate
SMILESCOC(=O)CCC1=C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C31H34O6/c1-33-30(32)18-17-27-19-28(35-21-25-13-7-3-8-14-25)31(36-22-26-15-9-4-10-16-26)29(37-27)23-34-20-24-11-5-2-6-12-24/h2-16,19,28-29,31H,17-18,20-23H2,1H3/t28-,29-,31-/m1/s1
InChIKeyBEUOBMFNVJFFNY-QPWMFTQFSA-N
XLogP5.61
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.61
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]propanoate with MolForge

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

Launch Full Analysis

Related Compounds

(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-carbonitrile
CID 132555832
(2R,3S,4R)-6-phenyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 10074401
methyl 2-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 126561419
(1S,2R,6R,8R,9S)-8-[2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]ethyl]-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 10818227
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 2734741
methyl 2-[(2S,3S,4R,5R,6R)-6-(aminomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]acetate
CID 11145593
methyl (2S,3R)-3-(phenylmethoxymethyl)oxirane-2-carboxylate
CID 101113540
methyl (4R)-4-[4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentanoate
CID 135000890
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
N-[(3S,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 163997809
methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate
CID 59252300

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]propanoate?
The IUPAC name of methyl 3-[(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]propanoate (CID 100981942) is methyl 3-[(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]propanoate.
What is the SMILES notation for methyl 3-[(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]propanoate?
The canonical SMILES for methyl 3-[(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]propanoate is COC(=O)CCC1=C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of methyl 3-[(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]propanoate?
The InChIKey is BEUOBMFNVJFFNY-QPWMFTQFSA-N. The full InChI is InChI=1S/C31H34O6/c1-33-30(32)18-17-27-19-28(35-21-25-13-7-3-8-14-25)31(36-22-26-15-9-4-10-16-26)29(37-27)23-34-20-24-11-5-2-6-12-24/h2-16,19,28-29,31H,17-18,20-23H2,1H3/t28-,29-,31-/m1/s1.
What are the key properties of methyl 3-[(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]propanoate?
methyl 3-[(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]propanoate has a molecular weight of 502.61 g/mol, XLogP of 5.61, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]propanoate is sourced from PubChem (CID 100981942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).