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

C8H14O5 — CID 91271052

IUPAC(4aR,7S,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
SMILESCC1OC[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O1
InChIInChI=1S/C8H14O5/c1-4-11-3-6-8(13-4)7(10)5(9)2-12-6/h4-10H,2-3H2,1H3/t4?,5-,6+,7+,8+/m0/s1
InChIKeyWPGJRKPJUYNYFT-XUQKIGAKSA-N
MW190.19 g/mol
LogP-1.13
Rot. Bonds

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

(4aR,7S,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (PubChem CID 91271052) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (4aR,7S,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol.

Molecular Properties

Compound Name(4aR,7S,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
PubChem CID91271052
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(4aR,7S,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
SMILESCC1OC[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O1
InChIInChI=1S/C8H14O5/c1-4-11-3-6-8(13-4)7(10)5(9)2-12-6/h4-10H,2-3H2,1H3/t4?,5-,6+,7+,8+/m0/s1
InChIKeyWPGJRKPJUYNYFT-XUQKIGAKSA-N
XLogP-1.13
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4aR,7S,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
The IUPAC name of (4aR,7S,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (CID 91271052) is (4aR,7S,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol.
What is the SMILES notation for (4aR,7S,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
The canonical SMILES for (4aR,7S,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol is CC1OC[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O1.
What is the InChIKey of (4aR,7S,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
The InChIKey is WPGJRKPJUYNYFT-XUQKIGAKSA-N. The full InChI is InChI=1S/C8H14O5/c1-4-11-3-6-8(13-4)7(10)5(9)2-12-6/h4-10H,2-3H2,1H3/t4?,5-,6+,7+,8+/m0/s1.
What are the key properties of (4aR,7S,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
(4aR,7S,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol has a molecular weight of 190.19 g/mol, XLogP of -1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7S,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol is sourced from PubChem (CID 91271052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).