6-methoxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

C12H16O6S — CID 20680284

IUPAC6-methoxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
SMILESCOC1OC2COC(c3cccs3)OC2C(O)C1O
InChIInChI=1S/C12H16O6S/c1-15-12-9(14)8(13)10-6(17-12)5-16-11(18-10)7-3-2-4-19-7/h2-4,6,8-14H,5H2,1H3
InChIKeyNYUAKYVDAMFPKX-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.26
Rot. Bonds2

About 6-methoxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

6-methoxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (PubChem CID 20680284) has the molecular formula C12H16O6S and a molecular weight of 288.32 g/mol. Its IUPAC name is 6-methoxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol.

Molecular Properties

Compound Name6-methoxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
PubChem CID20680284
Molecular FormulaC12H16O6S
Molecular Weight288.32 g/mol
Exact Mass288.07
IUPAC Name6-methoxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
SMILESCOC1OC2COC(c3cccs3)OC2C(O)C1O
InChIInChI=1S/C12H16O6S/c1-15-12-9(14)8(13)10-6(17-12)5-16-11(18-10)7-3-2-4-19-7/h2-4,6,8-14H,5H2,1H3
InChIKeyNYUAKYVDAMFPKX-UHFFFAOYSA-N
XLogP0.26
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
The IUPAC name of 6-methoxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (CID 20680284) is 6-methoxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol.
What is the SMILES notation for 6-methoxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
The canonical SMILES for 6-methoxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol is COC1OC2COC(c3cccs3)OC2C(O)C1O.
What is the InChIKey of 6-methoxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
The InChIKey is NYUAKYVDAMFPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O6S/c1-15-12-9(14)8(13)10-6(17-12)5-16-11(18-10)7-3-2-4-19-7/h2-4,6,8-14H,5H2,1H3.
What are the key properties of 6-methoxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
6-methoxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol has a molecular weight of 288.32 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol is sourced from PubChem (CID 20680284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).