(4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol

C8H14O6 — CID 54419182

IUPAC(4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
SMILESCC1OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O1
InChIInChI=1S/C8H14O6/c1-3-12-2-4-7(13-3)5(9)6(10)8(11)14-4/h3-11H,2H2,1H3/t3?,4-,5-,6-,7-,8-/m1/s1
InChIKeyVZPBLPQAMPVTFO-QUKDXFEHSA-N
MW206.19 g/mol
LogP-1.81
Rot. Bonds

About (4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol

(4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol (PubChem CID 54419182) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is (4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol.

Molecular Properties

Compound Name(4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
PubChem CID54419182
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name(4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
SMILESCC1OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O1
InChIInChI=1S/C8H14O6/c1-3-12-2-4-7(13-3)5(9)6(10)8(11)14-4/h3-11H,2H2,1H3/t3?,4-,5-,6-,7-,8-/m1/s1
InChIKeyVZPBLPQAMPVTFO-QUKDXFEHSA-N
XLogP-1.81
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol?
The IUPAC name of (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) is (4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol.
What is the SMILES notation for (4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol?
The canonical SMILES for (4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol is CC1OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O1.
What is the InChIKey of (4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol?
The InChIKey is VZPBLPQAMPVTFO-QUKDXFEHSA-N. The full InChI is InChI=1S/C8H14O6/c1-3-12-2-4-7(13-3)5(9)6(10)8(11)14-4/h3-11H,2H2,1H3/t3?,4-,5-,6-,7-,8-/m1/s1.
What are the key properties of (4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol?
(4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol has a molecular weight of 206.19 g/mol, XLogP of -1.81, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol is sourced from PubChem (CID 54419182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).