(2R,3S,4R,6R)-6-(benzenesulfonyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol

C26H28O6S — CID 134878492

IUPAC(2R,3S,4R,6R)-6-(benzenesulfonyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
SMILESO=S(=O)(c1ccccc1)[C@@H]1C[C@@H](OCc2ccccc2)[C@H](O)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C26H28O6S/c27-26-23(31-18-21-12-6-2-7-13-21)16-25(33(28,29)22-14-8-3-9-15-22)32-24(26)19-30-17-20-10-4-1-5-11-20/h1-15,23-27H,16-19H2/t23-,24-,25-,26+/m1/s1
InChIKeyUADPBRBPQCNPBN-POTDNYQPSA-N
MW468.57 g/mol
LogP3.74
Rot. Bonds9

About (2R,3S,4R,6R)-6-(benzenesulfonyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol

(2R,3S,4R,6R)-6-(benzenesulfonyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol (PubChem CID 134878492) has the molecular formula C26H28O6S and a molecular weight of 468.57 g/mol. Its IUPAC name is (2R,3S,4R,6R)-6-(benzenesulfonyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,4R,6R)-6-(benzenesulfonyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
PubChem CID134878492
Molecular FormulaC26H28O6S
Molecular Weight468.57 g/mol
Exact Mass468.16
IUPAC Name(2R,3S,4R,6R)-6-(benzenesulfonyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
SMILESO=S(=O)(c1ccccc1)[C@@H]1C[C@@H](OCc2ccccc2)[C@H](O)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C26H28O6S/c27-26-23(31-18-21-12-6-2-7-13-21)16-25(33(28,29)22-14-8-3-9-15-22)32-24(26)19-30-17-20-10-4-1-5-11-20/h1-15,23-27H,16-19H2/t23-,24-,25-,26+/m1/s1
InChIKeyUADPBRBPQCNPBN-POTDNYQPSA-N
XLogP3.74
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-Bis(phenylmethoxy)-2,7-bisbenzyl-4,5-dihydroxythiepane-1,1-dione
CID 464189
(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)-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
Phenyl 2,3,4-Tri-O-benzyl-1-thio-beta-L-fucopyranoside
CID 10875084
(1R)-3-(benzenesulfonyl)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol
CID 44264640
(1R,2S)-1,3-dimethoxy-1-(4-methylsulfonylphenyl)propan-2-ol
CID 56665069
(2S,3R)-3-methoxy-3-(4-methylsulfonylphenyl)propane-1,2-diol
CID 56676499
(2S,3R,4R,5S,6R)-3,4,5-Tris(benzyloxy)-2-methyl-6-(methylthio)tetrahydro-2H-pyran
CID 11081093
(2S,3S,4S,5S,6R)-2-(fluoromethyl)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxane
CID 66728357
2,3,4,6-tetra-O-benzylgalactopyranosyl phenyl sulfoxide
CID 3081659

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6R)-6-(benzenesulfonyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol?
The IUPAC name of (2R,3S,4R,6R)-6-(benzenesulfonyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol (CID 134878492) is (2R,3S,4R,6R)-6-(benzenesulfonyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,3S,4R,6R)-6-(benzenesulfonyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol?
The canonical SMILES for (2R,3S,4R,6R)-6-(benzenesulfonyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol is O=S(=O)(c1ccccc1)[C@@H]1C[C@@H](OCc2ccccc2)[C@H](O)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (2R,3S,4R,6R)-6-(benzenesulfonyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol?
The InChIKey is UADPBRBPQCNPBN-POTDNYQPSA-N. The full InChI is InChI=1S/C26H28O6S/c27-26-23(31-18-21-12-6-2-7-13-21)16-25(33(28,29)22-14-8-3-9-15-22)32-24(26)19-30-17-20-10-4-1-5-11-20/h1-15,23-27H,16-19H2/t23-,24-,25-,26+/m1/s1.
What are the key properties of (2R,3S,4R,6R)-6-(benzenesulfonyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol?
(2R,3S,4R,6R)-6-(benzenesulfonyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol has a molecular weight of 468.57 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6R)-6-(benzenesulfonyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol is sourced from PubChem (CID 134878492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).