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

C40H40O7S — CID 11273847

IUPAC(2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESO=S(=O)(c1ccccc1)[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C40H40O7S/c41-48(42,35-24-14-5-15-25-35)40-39(46-29-34-22-12-4-13-23-34)38(45-28-33-20-10-3-11-21-33)37(44-27-32-18-8-2-9-19-32)36(47-40)30-43-26-31-16-6-1-7-17-31/h1-25,36-40H,26-30H2/t36-,37-,38+,39-,40+/m1/s1
InChIKeyXBZBAXAVVNVYQO-DTQLOPILSA-N
MW664.82 g/mol
LogP7.16
Rot. Bonds15

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

(2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (PubChem CID 11273847) has the molecular formula C40H40O7S and a molecular weight of 664.82 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
PubChem CID11273847
Molecular FormulaC40H40O7S
Molecular Weight664.82 g/mol
Exact Mass664.25
IUPAC Name(2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESO=S(=O)(c1ccccc1)[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C40H40O7S/c41-48(42,35-24-14-5-15-25-35)40-39(46-29-34-22-12-4-13-23-34)38(45-28-33-20-10-3-11-21-33)37(44-27-32-18-8-2-9-19-32)36(47-40)30-43-26-31-16-6-1-7-17-31/h1-25,36-40H,26-30H2/t36-,37-,38+,39-,40+/m1/s1
InChIKeyXBZBAXAVVNVYQO-DTQLOPILSA-N
XLogP7.16
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.82
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane with MolForge

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Related Compounds

beta-D-Glucopyranoside, phenyl 2,3,4,6-tetrakis-O-(phenylmethyl)-1-thio-
CID 11104158
(2S,3R,4R,5S,6R)-3,4,5-tris(benzyloxy)-2-methyl-6-(p-tolylthio)tetrahydro-2H-pyran
CID 11071610
(2R,3S,4R,4aS,10bS)-9-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3,4,4a,5,10b-hexahydrothiochromeno[4,3-b]pyran 6,6-dioxide
CID 102499846
(2R,3S,4R,4aS,10bS)-7-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3,4,4a,5,10b-hexahydrothiochromeno[4,3-b]pyran 6,6-dioxide
CID 102499847
(2R,3S,4R,4aS,10bS)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3,4,4a,5,10b-hexahydrothiochromeno[4,3-b]pyran 6,6-dioxide
CID 102499850
(2R,3S,4R,4aS,10bR)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3,4,4a,5,10b-hexahydrothiochromeno[4,3-b]pyran 6,6-dioxide
CID 102499851
(2R,3S,4R,4aS,10bR)-9-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3,4,4a,5,10b-hexahydrothiochromeno[4,3-b]pyran 6,6-dioxide
CID 102499853
(2R,3S,4R,4aS,10bR)-7-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3,4,4a,5,10b-hexahydrothiochromeno[4,3-b]pyran 6,6-dioxide
CID 102499854
(2R,3S,4R,4aS,10bS)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3,4,4a,5,10b-hexahydrothiochromeno[4,3-b]pyran
CID 118715644
(2R,3S,4R,4aS,6S,10bS)-7-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3,4,4a,5,10b-hexahydrothiochromeno[4,3-b]pyran 6-oxide
CID 118715656
(2R,3S,4R,4aS,6R,10bS)-7-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3,4,4a,5,10b-hexahydrothiochromeno[4,3-b]pyran 6-oxide
CID 118715662
Phenyl 2,3,4-Tri-O-benzyl-1-thio-beta-L-fucopyranoside
CID 10875084

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (CID 11273847) is (2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is O=S(=O)(c1ccccc1)[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The InChIKey is XBZBAXAVVNVYQO-DTQLOPILSA-N. The full InChI is InChI=1S/C40H40O7S/c41-48(42,35-24-14-5-15-25-35)40-39(46-29-34-22-12-4-13-23-34)38(45-28-33-20-10-3-11-21-33)37(44-27-32-18-8-2-9-19-32)36(47-40)30-43-26-31-16-6-1-7-17-31/h1-25,36-40H,26-30H2/t36-,37-,38+,39-,40+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
(2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane has a molecular weight of 664.82 g/mol, XLogP of 7.16, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 11273847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).