2-(methoxymethyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol

C8H14O6 — CID 171620819

IUPAC2-(methoxymethyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol
SMILESCOCC1OCC2OC(O)C(O)C2O1
InChIInChI=1S/C8H14O6/c1-11-3-5-12-2-4-7(14-5)6(9)8(10)13-4/h4-10H,2-3H2,1H3
InChIKeyUNSDWXSCCLVKHK-UHFFFAOYSA-N
MW206.19 g/mol
LogP-1.55
Rot. Bonds2

About 2-(methoxymethyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol

2-(methoxymethyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol (PubChem CID 171620819) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is 2-(methoxymethyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol.

Molecular Properties

Compound Name2-(methoxymethyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol
PubChem CID171620819
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name2-(methoxymethyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol
SMILESCOCC1OCC2OC(O)C(O)C2O1
InChIInChI=1S/C8H14O6/c1-11-3-5-12-2-4-7(14-5)6(9)8(10)13-4/h4-10H,2-3H2,1H3
InChIKeyUNSDWXSCCLVKHK-UHFFFAOYSA-N
XLogP-1.55
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(methoxymethyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol with MolForge

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Related Compounds

2-octyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
CID 553351
2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol
CID 171620816
2-(methoxymethyl)-5-[2-(methoxymethyl)-1,3-dioxolan-4-yl]-6-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;molecular hydrogen
CID 171620812
(2R,4aS,6S,7R,8S,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
CID 124811135
(4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
CID 54419182
(1R,3S,4R,5R,8R)-2,6-dioxabicyclo[3.2.1]octane-3,4,8-triol
CID 57197659
(1R,3S,4R,5R,8S)-2,6-dioxabicyclo[3.2.1]octane-3,4,8-triol
CID 57323795
(6R,8R,8aS)-6-methoxy-2-undecyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 140821218
4-methoxy-2,6-dioxabicyclo[3.2.1]octane-3,8-diol
CID 21353693
2-(7-hydroxy-6-methoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-yl)acetaldehyde
CID 171620822
(6S,8aS)-6-ethyl-2-propyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 135040662
(1R,3S,4R,5R)-3-methoxy-2,6-dioxabicyclo[3.2.0]heptan-4-ol
CID 102212263

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol?
The IUPAC name of 2-(methoxymethyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol (CID 171620819) is 2-(methoxymethyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol.
What is the SMILES notation for 2-(methoxymethyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol?
The canonical SMILES for 2-(methoxymethyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol is COCC1OCC2OC(O)C(O)C2O1.
What is the InChIKey of 2-(methoxymethyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol?
The InChIKey is UNSDWXSCCLVKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6/c1-11-3-5-12-2-4-7(14-5)6(9)8(10)13-4/h4-10H,2-3H2,1H3.
What are the key properties of 2-(methoxymethyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol?
2-(methoxymethyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol has a molecular weight of 206.19 g/mol, XLogP of -1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol is sourced from PubChem (CID 171620819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).