(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol

C26H28O5S — CID 11476506

IUPAC(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol
SMILESOC[C@H]1O[C@H](Sc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C26H28O5S/c27-16-22-23(28)24(29-17-19-10-4-1-5-11-19)25(30-18-20-12-6-2-7-13-20)26(31-22)32-21-14-8-3-9-15-21/h1-15,22-28H,16-18H2/t22-,23-,24+,25+,26-/m1/s1
InChIKeyRCNHWIGTXCJGFF-PUHDZGQXSA-N
MW452.57 g/mol
LogP4.03
Rot. Bonds9

About (2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol

(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol (PubChem CID 11476506) has the molecular formula C26H28O5S and a molecular weight of 452.57 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol
PubChem CID11476506
Molecular FormulaC26H28O5S
Molecular Weight452.57 g/mol
Exact Mass452.17
IUPAC Name(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol
SMILESOC[C@H]1O[C@H](Sc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C26H28O5S/c27-16-22-23(28)24(29-17-19-10-4-1-5-11-19)25(30-18-20-12-6-2-7-13-20)26(31-22)32-21-14-8-3-9-15-21/h1-15,22-28H,16-18H2/t22-,23-,24+,25+,26-/m1/s1
InChIKeyRCNHWIGTXCJGFF-PUHDZGQXSA-N
XLogP4.03
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.57
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol with MolForge

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Related Compounds

beta-D-Glucopyranoside, phenyl 2,3,4,6-tetrakis-O-(phenylmethyl)-1-thio-
CID 11104158
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-(p-tolylthio)phenyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 9928933
(2S,3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol
CID 10863701
(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
(2S,3S,4R,5R,6R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 44414385
(2S,3S,4R,5R,6R)-2-ethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 44414628
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S,5R,6R)-5-hydroxy-6-phenylmethoxyoxan-3-yl]sulfanyloxane-3,4,5-triol
CID 45101442
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S,5S,6R)-5-hydroxy-6-phenylmethoxyoxan-3-yl]sulfanyloxane-3,4,5-triol
CID 45101443
(2S,3R,4R,5S)-6-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-4-phenylmethoxyhexane-1,2,3,5-tetrol chloride
CID 127041225
(2S,3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-propyloxan-3-ol
CID 10814448
(2S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol
CID 11798731

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol (CID 11476506) is (2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol is OC[C@H]1O[C@H](Sc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol?
The InChIKey is RCNHWIGTXCJGFF-PUHDZGQXSA-N. The full InChI is InChI=1S/C26H28O5S/c27-16-22-23(28)24(29-17-19-10-4-1-5-11-19)25(30-18-20-12-6-2-7-13-20)26(31-22)32-21-14-8-3-9-15-21/h1-15,22-28H,16-18H2/t22-,23-,24+,25+,26-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol?
(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol has a molecular weight of 452.57 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol is sourced from PubChem (CID 11476506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).