[(4aR,6S,8S,8aS)-6-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate

C10H16O6 — CID 56636288

IUPAC[(4aR,6S,8S,8aS)-6-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate
SMILESCC(=O)O[C@H]1C[C@@H](O)O[C@@H]2COC(C)O[C@@H]12
InChIInChI=1S/C10H16O6/c1-5(11)14-7-3-9(12)16-8-4-13-6(2)15-10(7)8/h6-10,12H,3-4H2,1-2H3/t6?,7-,8+,9-,10-/m0/s1
InChIKeyDIGFECCPLNLEJI-NSRVDLHZSA-N
MW232.23 g/mol
LogP-0.21
Rot. Bonds1

About [(4aR,6S,8S,8aS)-6-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate

[(4aR,6S,8S,8aS)-6-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate (PubChem CID 56636288) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is [(4aR,6S,8S,8aS)-6-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate.

Molecular Properties

Compound Name[(4aR,6S,8S,8aS)-6-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate
PubChem CID56636288
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name[(4aR,6S,8S,8aS)-6-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate
SMILESCC(=O)O[C@H]1C[C@@H](O)O[C@@H]2COC(C)O[C@@H]12
InChIInChI=1S/C10H16O6/c1-5(11)14-7-3-9(12)16-8-4-13-6(2)15-10(7)8/h6-10,12H,3-4H2,1-2H3/t6?,7-,8+,9-,10-/m0/s1
InChIKeyDIGFECCPLNLEJI-NSRVDLHZSA-N
XLogP-0.21
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(4aR,6S,8S,8aS)-6-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate with MolForge

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Launch Full Analysis

Related Compounds

(8-hydroxy-6-methoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) acetate
CID 162417242
[(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate
CID 156614307
methyl (2R,4R,4aS,6S,8aR)-2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carboxylate
CID 125036222
(2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl) acetate
CID 74037775
[(1R,2S,3R,5R)-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl] acetate
CID 23260988
[(2R,3R,4R)-2-ethyl-6-hydroxy-3-methyloxan-4-yl] acetate
CID 134194797
2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol
CID 171620816
[(1R,2S,5R)-6-oxabicyclo[3.1.0]hexan-2-yl] acetate
CID 100941844
7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(4S)-2-methyl-1,3-dioxolan-4-yl]cyclopentyl]heptanoic acid
CID 57289915
[(4aR,6S,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl] 2,2-dichloroacetate
CID 174900465
(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
(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

Frequently Asked Questions

What is the IUPAC name of [(4aR,6S,8S,8aS)-6-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate?
The IUPAC name of [(4aR,6S,8S,8aS)-6-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate (CID 56636288) is [(4aR,6S,8S,8aS)-6-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate.
What is the SMILES notation for [(4aR,6S,8S,8aS)-6-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate?
The canonical SMILES for [(4aR,6S,8S,8aS)-6-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate is CC(=O)O[C@H]1C[C@@H](O)O[C@@H]2COC(C)O[C@@H]12.
What is the InChIKey of [(4aR,6S,8S,8aS)-6-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate?
The InChIKey is DIGFECCPLNLEJI-NSRVDLHZSA-N. The full InChI is InChI=1S/C10H16O6/c1-5(11)14-7-3-9(12)16-8-4-13-6(2)15-10(7)8/h6-10,12H,3-4H2,1-2H3/t6?,7-,8+,9-,10-/m0/s1.
What are the key properties of [(4aR,6S,8S,8aS)-6-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate?
[(4aR,6S,8S,8aS)-6-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate has a molecular weight of 232.23 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,6S,8S,8aS)-6-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate is sourced from PubChem (CID 56636288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).