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

C41H42O7S — CID 10886934

IUPAC(3R,4S,5R,6R)-2-benzylsulfonyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESO=S(=O)(Cc1ccccc1)C1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C41H42O7S/c42-49(43,31-36-24-14-5-15-25-36)41-40(47-29-35-22-12-4-13-23-35)39(46-28-34-20-10-3-11-21-34)38(45-27-33-18-8-2-9-19-33)37(48-41)30-44-26-32-16-6-1-7-17-32/h1-25,37-41H,26-31H2/t37-,38-,39+,40-,41?/m1/s1
InChIKeyRVWRBAMWLVDHHG-WWGFXPMHSA-N
MW678.85 g/mol
LogP7.30
Rot. Bonds16

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

(3R,4S,5R,6R)-2-benzylsulfonyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (PubChem CID 10886934) has the molecular formula C41H42O7S and a molecular weight of 678.85 g/mol. Its IUPAC name is (3R,4S,5R,6R)-2-benzylsulfonyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(3R,4S,5R,6R)-2-benzylsulfonyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
PubChem CID10886934
Molecular FormulaC41H42O7S
Molecular Weight678.85 g/mol
Exact Mass678.27
IUPAC Name(3R,4S,5R,6R)-2-benzylsulfonyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESO=S(=O)(Cc1ccccc1)C1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C41H42O7S/c42-49(43,31-36-24-14-5-15-25-36)41-40(47-29-35-22-12-4-13-23-35)39(46-28-34-20-10-3-11-21-34)38(45-27-33-18-8-2-9-19-33)37(48-41)30-44-26-32-16-6-1-7-17-32/h1-25,37-41H,26-31H2/t37-,38-,39+,40-,41?/m1/s1
InChIKeyRVWRBAMWLVDHHG-WWGFXPMHSA-N
XLogP7.30
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.85
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

3,6-Bis(phenylmethoxy)-2,7-bisbenzyl-4,5-dihydroxythiepane-1,1-dione
CID 464189
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CID 11104158
(2S,3R,4R,5S,6R)-3,4,5-tris(benzyloxy)-2-methyl-6-(p-tolylthio)tetrahydro-2H-pyran
CID 11071610
Ethyl 2,3,4-tri-O-benzyl-b-L-thiofucopyranoside
CID 10896107
(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)-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,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 11092955
(2S,3S,4R,5R,6R)-2-benzyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11135847
Phenyl 2,3,4-Tri-O-benzyl-1-thio-beta-L-fucopyranoside
CID 10875084
2,3,4,6-Tetra-O-benzyl-beta-D-glucopyranosyl Fluoride
CID 10886059

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-2-benzylsulfonyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (3R,4S,5R,6R)-2-benzylsulfonyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (CID 10886934) is (3R,4S,5R,6R)-2-benzylsulfonyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (3R,4S,5R,6R)-2-benzylsulfonyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (3R,4S,5R,6R)-2-benzylsulfonyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is O=S(=O)(Cc1ccccc1)C1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (3R,4S,5R,6R)-2-benzylsulfonyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The InChIKey is RVWRBAMWLVDHHG-WWGFXPMHSA-N. The full InChI is InChI=1S/C41H42O7S/c42-49(43,31-36-24-14-5-15-25-36)41-40(47-29-35-22-12-4-13-23-35)39(46-28-34-20-10-3-11-21-34)38(45-27-33-18-8-2-9-19-33)37(48-41)30-44-26-32-16-6-1-7-17-32/h1-25,37-41H,26-31H2/t37-,38-,39+,40-,41?/m1/s1.
What are the key properties of (3R,4S,5R,6R)-2-benzylsulfonyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
(3R,4S,5R,6R)-2-benzylsulfonyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane has a molecular weight of 678.85 g/mol, XLogP of 7.30, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-2-benzylsulfonyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 10886934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).