(2S,3S,6R)-3-[[(6S,8S,8aS)-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-ethyl-5,6-dimethyloxan-4-ol

C20H36O6 — CID 90751511

IUPAC(2S,3S,6R)-3-[[(6S,8S,8aS)-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-ethyl-5,6-dimethyloxan-4-ol
SMILESCC[C@@H]1O[C@H](C)C(C)C(O)[C@@H]1O[C@@H]1OC2COC(C)(C)O[C@H]2[C@@H](C)C1C
InChIInChI=1S/C20H36O6/c1-8-14-18(16(21)12(4)13(5)23-14)25-19-11(3)10(2)17-15(24-19)9-22-20(6,7)26-17/h10-19,21H,8-9H2,1-7H3/t10-,11?,12?,13+,14-,15?,16?,17-,18+,19-/m0/s1
InChIKeyKKKFPNQNYFOLJH-XYSJJPBLSA-N
MW372.50 g/mol
LogP2.71
Rot. Bonds3

About (2S,3S,6R)-3-[[(6S,8S,8aS)-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-ethyl-5,6-dimethyloxan-4-ol

(2S,3S,6R)-3-[[(6S,8S,8aS)-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-ethyl-5,6-dimethyloxan-4-ol (PubChem CID 90751511) has the molecular formula C20H36O6 and a molecular weight of 372.50 g/mol. Its IUPAC name is (2S,3S,6R)-3-[[(6S,8S,8aS)-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-ethyl-5,6-dimethyloxan-4-ol.

Molecular Properties

Compound Name(2S,3S,6R)-3-[[(6S,8S,8aS)-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-ethyl-5,6-dimethyloxan-4-ol
PubChem CID90751511
Molecular FormulaC20H36O6
Molecular Weight372.50 g/mol
Exact Mass372.25
IUPAC Name(2S,3S,6R)-3-[[(6S,8S,8aS)-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-ethyl-5,6-dimethyloxan-4-ol
SMILESCC[C@@H]1O[C@H](C)C(C)C(O)[C@@H]1O[C@@H]1OC2COC(C)(C)O[C@H]2[C@@H](C)C1C
InChIInChI=1S/C20H36O6/c1-8-14-18(16(21)12(4)13(5)23-14)25-19-11(3)10(2)17-15(24-19)9-22-20(6,7)26-17/h10-19,21H,8-9H2,1-7H3/t10-,11?,12?,13+,14-,15?,16?,17-,18+,19-/m0/s1
InChIKeyKKKFPNQNYFOLJH-XYSJJPBLSA-N
XLogP2.71
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,3S,6R)-3-[[(6S,8S,8aS)-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-ethyl-5,6-dimethyloxan-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,6R)-3-[[(6S,8S,8aS)-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-ethyl-5,6-dimethyloxan-4-ol?
The IUPAC name of (2S,3S,6R)-3-[[(6S,8S,8aS)-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-ethyl-5,6-dimethyloxan-4-ol (CID 90751511) is (2S,3S,6R)-3-[[(6S,8S,8aS)-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-ethyl-5,6-dimethyloxan-4-ol.
What is the SMILES notation for (2S,3S,6R)-3-[[(6S,8S,8aS)-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-ethyl-5,6-dimethyloxan-4-ol?
The canonical SMILES for (2S,3S,6R)-3-[[(6S,8S,8aS)-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-ethyl-5,6-dimethyloxan-4-ol is CC[C@@H]1O[C@H](C)C(C)C(O)[C@@H]1O[C@@H]1OC2COC(C)(C)O[C@H]2[C@@H](C)C1C.
What is the InChIKey of (2S,3S,6R)-3-[[(6S,8S,8aS)-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-ethyl-5,6-dimethyloxan-4-ol?
The InChIKey is KKKFPNQNYFOLJH-XYSJJPBLSA-N. The full InChI is InChI=1S/C20H36O6/c1-8-14-18(16(21)12(4)13(5)23-14)25-19-11(3)10(2)17-15(24-19)9-22-20(6,7)26-17/h10-19,21H,8-9H2,1-7H3/t10-,11?,12?,13+,14-,15?,16?,17-,18+,19-/m0/s1.
What are the key properties of (2S,3S,6R)-3-[[(6S,8S,8aS)-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-ethyl-5,6-dimethyloxan-4-ol?
(2S,3S,6R)-3-[[(6S,8S,8aS)-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-ethyl-5,6-dimethyloxan-4-ol has a molecular weight of 372.50 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6R)-3-[[(6S,8S,8aS)-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-ethyl-5,6-dimethyloxan-4-ol is sourced from PubChem (CID 90751511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).