(2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-6-methyl-3,4,5-tris(phenylmethoxy)oxane

C33H34O6S — CID 102061085

IUPAC(2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-6-methyl-3,4,5-tris(phenylmethoxy)oxane
SMILESC[C@H]1O[C@@H](S(=O)(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C33H34O6S/c1-25-30(36-22-26-14-6-2-7-15-26)31(37-23-27-16-8-3-9-17-27)32(38-24-28-18-10-4-11-19-28)33(39-25)40(34,35)29-20-12-5-13-21-29/h2-21,25,30-33H,22-24H2,1H3/t25-,30-,31+,32-,33+/m1/s1
InChIKeyGDERFVJPXTYQDP-HPDOISGISA-N
MW558.70 g/mol
LogP5.96
Rot. Bonds11

About (2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-6-methyl-3,4,5-tris(phenylmethoxy)oxane

(2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-6-methyl-3,4,5-tris(phenylmethoxy)oxane (PubChem CID 102061085) has the molecular formula C33H34O6S and a molecular weight of 558.70 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-6-methyl-3,4,5-tris(phenylmethoxy)oxane.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-6-methyl-3,4,5-tris(phenylmethoxy)oxane
PubChem CID102061085
Molecular FormulaC33H34O6S
Molecular Weight558.70 g/mol
Exact Mass558.21
IUPAC Name(2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-6-methyl-3,4,5-tris(phenylmethoxy)oxane
SMILESC[C@H]1O[C@@H](S(=O)(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C33H34O6S/c1-25-30(36-22-26-14-6-2-7-15-26)31(37-23-27-16-8-3-9-17-27)32(38-24-28-18-10-4-11-19-28)33(39-25)40(34,35)29-20-12-5-13-21-29/h2-21,25,30-33H,22-24H2,1H3/t25-,30-,31+,32-,33+/m1/s1
InChIKeyGDERFVJPXTYQDP-HPDOISGISA-N
XLogP5.96
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.70
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R,4R,5S,6S)-2-methyl-6-(methylsulfonylmethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 102092355
(2S,3R,4R,5S,6S)-2-chloro-6-methyl-3,4,5-tris(phenylmethoxy)oxane
CID 11123271
(2R,3R,4R,5S,6S)-2-chloro-6-methyl-3,4,5-tris(phenylmethoxy)oxane
CID 102142905
(2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane
CID 59270262
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
[(2R,4S,5S)-2-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 70841959
(3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol
CID 11762365
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2S,3R,4S,5S,6S)-2-methoxy-3,6-dimethyl-4,5-bis(phenylmethoxy)oxane
CID 101084326
2-methyl-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane
CID 42609162
(2S,3R,4R,5S)-2-methyl-6-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)oxane
CID 90477086
[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 163477744

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-6-methyl-3,4,5-tris(phenylmethoxy)oxane?
The IUPAC name of (2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-6-methyl-3,4,5-tris(phenylmethoxy)oxane (CID 102061085) is (2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-6-methyl-3,4,5-tris(phenylmethoxy)oxane.
What is the SMILES notation for (2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-6-methyl-3,4,5-tris(phenylmethoxy)oxane?
The canonical SMILES for (2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-6-methyl-3,4,5-tris(phenylmethoxy)oxane is C[C@H]1O[C@@H](S(=O)(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-6-methyl-3,4,5-tris(phenylmethoxy)oxane?
The InChIKey is GDERFVJPXTYQDP-HPDOISGISA-N. The full InChI is InChI=1S/C33H34O6S/c1-25-30(36-22-26-14-6-2-7-15-26)31(37-23-27-16-8-3-9-17-27)32(38-24-28-18-10-4-11-19-28)33(39-25)40(34,35)29-20-12-5-13-21-29/h2-21,25,30-33H,22-24H2,1H3/t25-,30-,31+,32-,33+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-6-methyl-3,4,5-tris(phenylmethoxy)oxane?
(2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-6-methyl-3,4,5-tris(phenylmethoxy)oxane has a molecular weight of 558.70 g/mol, XLogP of 5.96, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-6-methyl-3,4,5-tris(phenylmethoxy)oxane is sourced from PubChem (CID 102061085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).