(2R,4aR,8R,8aS)-6-(2-methylprop-2-enylsulfonyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

C24H28O6S — CID 162786754

IUPAC(2R,4aR,8R,8aS)-6-(2-methylprop-2-enylsulfonyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESC=C(C)CS(=O)(=O)C1C[C@@H](OCc2ccccc2)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O1
InChIInChI=1S/C24H28O6S/c1-17(2)16-31(25,26)22-13-20(27-14-18-9-5-3-6-10-18)23-21(29-22)15-28-24(30-23)19-11-7-4-8-12-19/h3-12,20-24H,1,13-16H2,2H3/t20-,21-,22?,23+,24-/m1/s1
InChIKeyLLIIJIBXIVICBT-BHJRHKJSSA-N
MW444.55 g/mol
LogP3.79
Rot. Bonds7

About (2R,4aR,8R,8aS)-6-(2-methylprop-2-enylsulfonyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

(2R,4aR,8R,8aS)-6-(2-methylprop-2-enylsulfonyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (PubChem CID 162786754) has the molecular formula C24H28O6S and a molecular weight of 444.55 g/mol. Its IUPAC name is (2R,4aR,8R,8aS)-6-(2-methylprop-2-enylsulfonyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

Molecular Properties

Compound Name(2R,4aR,8R,8aS)-6-(2-methylprop-2-enylsulfonyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
PubChem CID162786754
Molecular FormulaC24H28O6S
Molecular Weight444.55 g/mol
Exact Mass444.16
IUPAC Name(2R,4aR,8R,8aS)-6-(2-methylprop-2-enylsulfonyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESC=C(C)CS(=O)(=O)C1C[C@@H](OCc2ccccc2)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O1
InChIInChI=1S/C24H28O6S/c1-17(2)16-31(25,26)22-13-20(27-14-18-9-5-3-6-10-18)23-21(29-22)15-28-24(30-23)19-11-7-4-8-12-19/h3-12,20-24H,1,13-16H2,2H3/t20-,21-,22?,23+,24-/m1/s1
InChIKeyLLIIJIBXIVICBT-BHJRHKJSSA-N
XLogP3.79
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,4aR,8R,8aS)-6-(2-methylprop-2-enylsulfonyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-DI-O-Benzylidene-5-deoxy-DL-ribitol
CID 298285
(2R,4R,4aS,6S,8aR)-4-[bis(ethylsulfanyl)methyl]-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 44588352
Ethyl 2,3,4-tri-O-benzyl-b-L-thiofucopyranoside
CID 10896107
(2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran
CID 46871914
(4R,4aS,8aR)-4-(dimethoxymethyl)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 44588456
Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (Z)-
CID 3053243
Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (E)-
CID 3053244
(2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(trityloxymethyl)-2,5-dihydrofuran
CID 46871913
(2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(trityloxymethyl)-2,5-dihydrofuran
CID 46890905
(2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran
CID 46890957
[4-(2,6-Diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-2-phenyl-1,3-dioxan-5-yl] methanesulfonate
CID 251716
2-Phenyl-1,3-dioxan-5-yl 4-methylbenzenesulfonate
CID 3089973

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,8R,8aS)-6-(2-methylprop-2-enylsulfonyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The IUPAC name of (2R,4aR,8R,8aS)-6-(2-methylprop-2-enylsulfonyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (CID 162786754) is (2R,4aR,8R,8aS)-6-(2-methylprop-2-enylsulfonyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.
What is the SMILES notation for (2R,4aR,8R,8aS)-6-(2-methylprop-2-enylsulfonyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The canonical SMILES for (2R,4aR,8R,8aS)-6-(2-methylprop-2-enylsulfonyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is C=C(C)CS(=O)(=O)C1C[C@@H](OCc2ccccc2)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O1.
What is the InChIKey of (2R,4aR,8R,8aS)-6-(2-methylprop-2-enylsulfonyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The InChIKey is LLIIJIBXIVICBT-BHJRHKJSSA-N. The full InChI is InChI=1S/C24H28O6S/c1-17(2)16-31(25,26)22-13-20(27-14-18-9-5-3-6-10-18)23-21(29-22)15-28-24(30-23)19-11-7-4-8-12-19/h3-12,20-24H,1,13-16H2,2H3/t20-,21-,22?,23+,24-/m1/s1.
What are the key properties of (2R,4aR,8R,8aS)-6-(2-methylprop-2-enylsulfonyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
(2R,4aR,8R,8aS)-6-(2-methylprop-2-enylsulfonyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine has a molecular weight of 444.55 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,8R,8aS)-6-(2-methylprop-2-enylsulfonyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 162786754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).