(2S,3R,4S,6S)-2-methoxy-6-(methoxymethyl)-3,4-bis(phenylmethoxy)oxane

C22H28O5 — CID 70223626

IUPAC(2S,3R,4S,6S)-2-methoxy-6-(methoxymethyl)-3,4-bis(phenylmethoxy)oxane
SMILESCOC[C@@H]1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OC)O1
InChIInChI=1S/C22H28O5/c1-23-16-19-13-20(25-14-17-9-5-3-6-10-17)21(22(24-2)27-19)26-15-18-11-7-4-8-12-18/h3-12,19-22H,13-16H2,1-2H3/t19-,20-,21+,22-/m0/s1
InChIKeyMBQRMGPGSKHJPW-KJJMTIBFSA-N
MW372.46 g/mol
LogP3.57
Rot. Bonds9

About (2S,3R,4S,6S)-2-methoxy-6-(methoxymethyl)-3,4-bis(phenylmethoxy)oxane

(2S,3R,4S,6S)-2-methoxy-6-(methoxymethyl)-3,4-bis(phenylmethoxy)oxane (PubChem CID 70223626) has the molecular formula C22H28O5 and a molecular weight of 372.46 g/mol. Its IUPAC name is (2S,3R,4S,6S)-2-methoxy-6-(methoxymethyl)-3,4-bis(phenylmethoxy)oxane.

Molecular Properties

Compound Name(2S,3R,4S,6S)-2-methoxy-6-(methoxymethyl)-3,4-bis(phenylmethoxy)oxane
PubChem CID70223626
Molecular FormulaC22H28O5
Molecular Weight372.46 g/mol
Exact Mass372.19
IUPAC Name(2S,3R,4S,6S)-2-methoxy-6-(methoxymethyl)-3,4-bis(phenylmethoxy)oxane
SMILESCOC[C@@H]1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OC)O1
InChIInChI=1S/C22H28O5/c1-23-16-19-13-20(25-14-17-9-5-3-6-10-17)21(22(24-2)27-19)26-15-18-11-7-4-8-12-18/h3-12,19-22H,13-16H2,1-2H3/t19-,20-,21+,22-/m0/s1
InChIKeyMBQRMGPGSKHJPW-KJJMTIBFSA-N
XLogP3.57
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4S,6S)-2-methoxy-6-(methoxymethyl)-3,4-bis(phenylmethoxy)oxane 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

(2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11037694
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731
(2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane
CID 46914368
(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane
CID 70289541
2-[(2S,3R,4S,6S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyethyl-trimethylsilane
CID 67584239
(2S,3R,4S,6S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxane
CID 70186984
(1R,2R,3S,4S,5S)-5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 10533690
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(2S,3R,4S,5R,6S)-2-(iodomethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 11330611
(2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane
CID 14133730
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,6S)-2-methoxy-6-(methoxymethyl)-3,4-bis(phenylmethoxy)oxane?
The IUPAC name of (2S,3R,4S,6S)-2-methoxy-6-(methoxymethyl)-3,4-bis(phenylmethoxy)oxane (CID 70223626) is (2S,3R,4S,6S)-2-methoxy-6-(methoxymethyl)-3,4-bis(phenylmethoxy)oxane.
What is the SMILES notation for (2S,3R,4S,6S)-2-methoxy-6-(methoxymethyl)-3,4-bis(phenylmethoxy)oxane?
The canonical SMILES for (2S,3R,4S,6S)-2-methoxy-6-(methoxymethyl)-3,4-bis(phenylmethoxy)oxane is COC[C@@H]1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OC)O1.
What is the InChIKey of (2S,3R,4S,6S)-2-methoxy-6-(methoxymethyl)-3,4-bis(phenylmethoxy)oxane?
The InChIKey is MBQRMGPGSKHJPW-KJJMTIBFSA-N. The full InChI is InChI=1S/C22H28O5/c1-23-16-19-13-20(25-14-17-9-5-3-6-10-17)21(22(24-2)27-19)26-15-18-11-7-4-8-12-18/h3-12,19-22H,13-16H2,1-2H3/t19-,20-,21+,22-/m0/s1.
What are the key properties of (2S,3R,4S,6S)-2-methoxy-6-(methoxymethyl)-3,4-bis(phenylmethoxy)oxane?
(2S,3R,4S,6S)-2-methoxy-6-(methoxymethyl)-3,4-bis(phenylmethoxy)oxane has a molecular weight of 372.46 g/mol, XLogP of 3.57, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,6S)-2-methoxy-6-(methoxymethyl)-3,4-bis(phenylmethoxy)oxane is sourced from PubChem (CID 70223626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).