(4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol

C10H18O6 — CID 56632590

IUPAC(4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol
SMILESCO[C@H]1[C@H](OC)[C@@H](O)O[C@@H]2COC(C)O[C@@H]12
InChIInChI=1S/C10H18O6/c1-5-14-4-6-7(15-5)8(12-2)9(13-3)10(11)16-6/h5-11H,4H2,1-3H3/t5?,6-,7-,8-,9+,10+/m1/s1
InChIKeyAHPQZTLZFQCYQA-IPXDLHGQSA-N
MW234.25 g/mol
LogP-0.50
Rot. Bonds2

About (4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol

(4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol (PubChem CID 56632590) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is (4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol.

Molecular Properties

Compound Name(4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol
PubChem CID56632590
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name(4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol
SMILESCO[C@H]1[C@H](OC)[C@@H](O)O[C@@H]2COC(C)O[C@@H]12
InChIInChI=1S/C10H18O6/c1-5-14-4-6-7(15-5)8(12-2)9(13-3)10(11)16-6/h5-11H,4H2,1-3H3/t5?,6-,7-,8-,9+,10+/m1/s1
InChIKeyAHPQZTLZFQCYQA-IPXDLHGQSA-N
XLogP-0.50
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol?
The IUPAC name of (4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol (CID 56632590) is (4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol.
What is the SMILES notation for (4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol?
The canonical SMILES for (4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol is CO[C@H]1[C@H](OC)[C@@H](O)O[C@@H]2COC(C)O[C@@H]12.
What is the InChIKey of (4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol?
The InChIKey is AHPQZTLZFQCYQA-IPXDLHGQSA-N. The full InChI is InChI=1S/C10H18O6/c1-5-14-4-6-7(15-5)8(12-2)9(13-3)10(11)16-6/h5-11H,4H2,1-3H3/t5?,6-,7-,8-,9+,10+/m1/s1.
What are the key properties of (4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol?
(4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol has a molecular weight of 234.25 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol is sourced from PubChem (CID 56632590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).