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

C33H34O5S — CID 10886062

IUPAC(2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-ol
SMILESO[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](Sc2ccccc2)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C33H34O5S/c34-30-29(24-35-21-25-13-5-1-6-14-25)38-33(39-28-19-11-4-12-20-28)32(37-23-27-17-9-3-10-18-27)31(30)36-22-26-15-7-2-8-16-26/h1-20,29-34H,21-24H2/t29-,30-,31+,32-,33+/m1/s1
InChIKeyJWEXHALGGJAYED-AALIFHQRSA-N
MW542.70 g/mol
LogP6.25
Rot. Bonds12

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

(2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-ol (PubChem CID 10886062) has the molecular formula C33H34O5S and a molecular weight of 542.70 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-ol
PubChem CID10886062
Molecular FormulaC33H34O5S
Molecular Weight542.70 g/mol
Exact Mass542.21
IUPAC Name(2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-ol
SMILESO[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](Sc2ccccc2)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C33H34O5S/c34-30-29(24-35-21-25-13-5-1-6-14-25)38-33(39-28-19-11-4-12-20-28)32(37-23-27-17-9-3-10-18-27)31(30)36-22-26-15-7-2-8-16-26/h1-20,29-34H,21-24H2/t29-,30-,31+,32-,33+/m1/s1
InChIKeyJWEXHALGGJAYED-AALIFHQRSA-N
XLogP6.25
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.70
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2R,3S,4S,5R)-1,2,5,6-tetrakis(benzyloxy)hexane-3,4-diol
CID 3011252
2,3,4,6-Tetra-O-benzylhexopyranose
CID 563647
2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose
CID 10940502
beta-D-Glucopyranoside, phenyl 2,3,4,6-tetrakis-O-(phenylmethyl)-1-thio-
CID 11104158
2,3,4,6-Tetrakis-O-(phenylmethyl)-alpha-D-glucopyranose
CID 11731256
2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactopyranose
CID 2734154
2,3,4,6-Tetra-O-benzyl-D-glucopyranose
CID 6409834
(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
2,3,4,6-Tetra-O-benzyl-alpha-L-glucopyranose
CID 54149221
(2S,3R,4R,5S)-1,2,5,6-tetrabenzyloxyhexane-3,4-diol
CID 3011288
(2R,3R,4S,5S)-1,2,5,6-tetrabenzyloxyhexane-3,4-diol
CID 3011289

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-ol?
The IUPAC name of (2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-ol (CID 10886062) is (2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-ol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-ol?
The canonical SMILES for (2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-ol is O[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](Sc2ccccc2)O[C@@H]1COCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-ol?
The InChIKey is JWEXHALGGJAYED-AALIFHQRSA-N. The full InChI is InChI=1S/C33H34O5S/c34-30-29(24-35-21-25-13-5-1-6-14-25)38-33(39-28-19-11-4-12-20-28)32(37-23-27-17-9-3-10-18-27)31(30)36-22-26-15-7-2-8-16-26/h1-20,29-34H,21-24H2/t29-,30-,31+,32-,33+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-ol?
(2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-ol has a molecular weight of 542.70 g/mol, XLogP of 6.25, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-ol is sourced from PubChem (CID 10886062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).