2-methoxy-6-(methylsulfanylmethyl)-3,4,5-tris(phenylmethoxy)oxane

C29H34O5S — CID 134832275

IUPAC2-methoxy-6-(methylsulfanylmethyl)-3,4,5-tris(phenylmethoxy)oxane
SMILESCOC1OC(CSC)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C29H34O5S/c1-30-29-28(33-20-24-16-10-5-11-17-24)27(32-19-23-14-8-4-9-15-23)26(25(34-29)21-35-2)31-18-22-12-6-3-7-13-22/h3-17,25-29H,18-21H2,1-2H3
InChIKeyNAZANXVMLJKAOW-UHFFFAOYSA-N
MW494.65 g/mol
LogP5.48
Rot. Bonds12

About 2-methoxy-6-(methylsulfanylmethyl)-3,4,5-tris(phenylmethoxy)oxane

2-methoxy-6-(methylsulfanylmethyl)-3,4,5-tris(phenylmethoxy)oxane (PubChem CID 134832275) has the molecular formula C29H34O5S and a molecular weight of 494.65 g/mol. Its IUPAC name is 2-methoxy-6-(methylsulfanylmethyl)-3,4,5-tris(phenylmethoxy)oxane.

Molecular Properties

Compound Name2-methoxy-6-(methylsulfanylmethyl)-3,4,5-tris(phenylmethoxy)oxane
PubChem CID134832275
Molecular FormulaC29H34O5S
Molecular Weight494.65 g/mol
Exact Mass494.21
IUPAC Name2-methoxy-6-(methylsulfanylmethyl)-3,4,5-tris(phenylmethoxy)oxane
SMILESCOC1OC(CSC)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C29H34O5S/c1-30-29-28(33-20-24-16-10-5-11-17-24)27(32-19-23-14-8-4-9-15-23)26(25(34-29)21-35-2)31-18-22-12-6-3-7-13-22/h3-17,25-29H,18-21H2,1-2H3
InChIKeyNAZANXVMLJKAOW-UHFFFAOYSA-N
XLogP5.48
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.65
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,4S,5S,6S)-2-methoxy-6-[[(2S,3S,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane
CID 50906249
(2S,3S,4S,5R,6R)-2-methoxy-4-[(2R,3S,4S,5R)-5-(methylsulfanylmethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 69406824
(2S,3R,4S,5R,6S)-2-(iodomethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 11330611
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]acetonitrile
CID 135027342
2-[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
CID 67629587
[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl-triphenylphosphanium iodide
CID 11170375
(2S,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 100914116

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(methylsulfanylmethyl)-3,4,5-tris(phenylmethoxy)oxane?
The IUPAC name of 2-methoxy-6-(methylsulfanylmethyl)-3,4,5-tris(phenylmethoxy)oxane (CID 134832275) is 2-methoxy-6-(methylsulfanylmethyl)-3,4,5-tris(phenylmethoxy)oxane.
What is the SMILES notation for 2-methoxy-6-(methylsulfanylmethyl)-3,4,5-tris(phenylmethoxy)oxane?
The canonical SMILES for 2-methoxy-6-(methylsulfanylmethyl)-3,4,5-tris(phenylmethoxy)oxane is COC1OC(CSC)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 2-methoxy-6-(methylsulfanylmethyl)-3,4,5-tris(phenylmethoxy)oxane?
The InChIKey is NAZANXVMLJKAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34O5S/c1-30-29-28(33-20-24-16-10-5-11-17-24)27(32-19-23-14-8-4-9-15-23)26(25(34-29)21-35-2)31-18-22-12-6-3-7-13-22/h3-17,25-29H,18-21H2,1-2H3.
What are the key properties of 2-methoxy-6-(methylsulfanylmethyl)-3,4,5-tris(phenylmethoxy)oxane?
2-methoxy-6-(methylsulfanylmethyl)-3,4,5-tris(phenylmethoxy)oxane has a molecular weight of 494.65 g/mol, XLogP of 5.48, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(methylsulfanylmethyl)-3,4,5-tris(phenylmethoxy)oxane is sourced from PubChem (CID 134832275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).