(2R,4aR,6R,7S,8S,8aR)-6-(hydroxymethyl)-2-(methylsulfonylmethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol

C10H18O8S — CID 10685473

IUPAC(2R,4aR,6R,7S,8S,8aR)-6-(hydroxymethyl)-2-(methylsulfonylmethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol
SMILESCS(=O)(=O)C[C@H]1CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O1
InChIInChI=1S/C10H18O8S/c1-19(14,15)4-5-3-16-10-9(17-5)8(13)7(12)6(2-11)18-10/h5-13H,2-4H2,1H3/t5-,6-,7-,8+,9-,10-/m1/s1
InChIKeySNOQXQZJYBAJSD-DAORTFEHSA-N
MW298.31 g/mol
LogP-2.75
Rot. Bonds3

About (2R,4aR,6R,7S,8S,8aR)-6-(hydroxymethyl)-2-(methylsulfonylmethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol

(2R,4aR,6R,7S,8S,8aR)-6-(hydroxymethyl)-2-(methylsulfonylmethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol (PubChem CID 10685473) has the molecular formula C10H18O8S and a molecular weight of 298.31 g/mol. Its IUPAC name is (2R,4aR,6R,7S,8S,8aR)-6-(hydroxymethyl)-2-(methylsulfonylmethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol.

Molecular Properties

Compound Name(2R,4aR,6R,7S,8S,8aR)-6-(hydroxymethyl)-2-(methylsulfonylmethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol
PubChem CID10685473
Molecular FormulaC10H18O8S
Molecular Weight298.31 g/mol
Exact Mass298.07
IUPAC Name(2R,4aR,6R,7S,8S,8aR)-6-(hydroxymethyl)-2-(methylsulfonylmethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol
SMILESCS(=O)(=O)C[C@H]1CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O1
InChIInChI=1S/C10H18O8S/c1-19(14,15)4-5-3-16-10-9(17-5)8(13)7(12)6(2-11)18-10/h5-13H,2-4H2,1H3/t5-,6-,7-,8+,9-,10-/m1/s1
InChIKeySNOQXQZJYBAJSD-DAORTFEHSA-N
XLogP-2.75
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 5-2.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R,4aR,6R,7S,8S,8aR)-6-(hydroxymethyl)-2-(methylsulfonylmethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6R,7S,8S,8aR)-6-(hydroxymethyl)-2-(methylsulfonylmethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol?
The IUPAC name of (2R,4aR,6R,7S,8S,8aR)-6-(hydroxymethyl)-2-(methylsulfonylmethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol (CID 10685473) is (2R,4aR,6R,7S,8S,8aR)-6-(hydroxymethyl)-2-(methylsulfonylmethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol.
What is the SMILES notation for (2R,4aR,6R,7S,8S,8aR)-6-(hydroxymethyl)-2-(methylsulfonylmethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol?
The canonical SMILES for (2R,4aR,6R,7S,8S,8aR)-6-(hydroxymethyl)-2-(methylsulfonylmethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol is CS(=O)(=O)C[C@H]1CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O1.
What is the InChIKey of (2R,4aR,6R,7S,8S,8aR)-6-(hydroxymethyl)-2-(methylsulfonylmethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol?
The InChIKey is SNOQXQZJYBAJSD-DAORTFEHSA-N. The full InChI is InChI=1S/C10H18O8S/c1-19(14,15)4-5-3-16-10-9(17-5)8(13)7(12)6(2-11)18-10/h5-13H,2-4H2,1H3/t5-,6-,7-,8+,9-,10-/m1/s1.
What are the key properties of (2R,4aR,6R,7S,8S,8aR)-6-(hydroxymethyl)-2-(methylsulfonylmethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol?
(2R,4aR,6R,7S,8S,8aR)-6-(hydroxymethyl)-2-(methylsulfonylmethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol has a molecular weight of 298.31 g/mol, XLogP of -2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,6R,7S,8S,8aR)-6-(hydroxymethyl)-2-(methylsulfonylmethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol is sourced from PubChem (CID 10685473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).