(6S,7S,8aS)-6-methoxy-2-[(E)-2-phenylethenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

C16H20O6 — CID 176586144

IUPAC(6S,7S,8aS)-6-methoxy-2-[(E)-2-phenylethenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
SMILESCO[C@H]1OC2COC(/C=C/c3ccccc3)O[C@H]2C(O)[C@@H]1O
InChIInChI=1S/C16H20O6/c1-19-16-14(18)13(17)15-11(21-16)9-20-12(22-15)8-7-10-5-3-2-4-6-10/h2-8,11-18H,9H2,1H3/b8-7+/t11?,12?,13?,14-,15+,16-/m0/s1
InChIKeyXPYQETVTAVFOJB-XUFYUGCKSA-N
MW308.33 g/mol
LogP0.53
Rot. Bonds3

About (6S,7S,8aS)-6-methoxy-2-[(E)-2-phenylethenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

(6S,7S,8aS)-6-methoxy-2-[(E)-2-phenylethenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (PubChem CID 176586144) has the molecular formula C16H20O6 and a molecular weight of 308.33 g/mol. Its IUPAC name is (6S,7S,8aS)-6-methoxy-2-[(E)-2-phenylethenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol.

Molecular Properties

Compound Name(6S,7S,8aS)-6-methoxy-2-[(E)-2-phenylethenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
PubChem CID176586144
Molecular FormulaC16H20O6
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name(6S,7S,8aS)-6-methoxy-2-[(E)-2-phenylethenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
SMILESCO[C@H]1OC2COC(/C=C/c3ccccc3)O[C@H]2C(O)[C@@H]1O
InChIInChI=1S/C16H20O6/c1-19-16-14(18)13(17)15-11(21-16)9-20-12(22-15)8-7-10-5-3-2-4-6-10/h2-8,11-18H,9H2,1H3/b8-7+/t11?,12?,13?,14-,15+,16-/m0/s1
InChIKeyXPYQETVTAVFOJB-XUFYUGCKSA-N
XLogP0.53
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6S,7S,8aS)-6-methoxy-2-[(E)-2-phenylethenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S,7S,8aS)-6-methoxy-2-[(E)-2-phenylethenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
The IUPAC name of (6S,7S,8aS)-6-methoxy-2-[(E)-2-phenylethenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (CID 176586144) is (6S,7S,8aS)-6-methoxy-2-[(E)-2-phenylethenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol.
What is the SMILES notation for (6S,7S,8aS)-6-methoxy-2-[(E)-2-phenylethenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
The canonical SMILES for (6S,7S,8aS)-6-methoxy-2-[(E)-2-phenylethenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol is CO[C@H]1OC2COC(/C=C/c3ccccc3)O[C@H]2C(O)[C@@H]1O.
What is the InChIKey of (6S,7S,8aS)-6-methoxy-2-[(E)-2-phenylethenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
The InChIKey is XPYQETVTAVFOJB-XUFYUGCKSA-N. The full InChI is InChI=1S/C16H20O6/c1-19-16-14(18)13(17)15-11(21-16)9-20-12(22-15)8-7-10-5-3-2-4-6-10/h2-8,11-18H,9H2,1H3/b8-7+/t11?,12?,13?,14-,15+,16-/m0/s1.
What are the key properties of (6S,7S,8aS)-6-methoxy-2-[(E)-2-phenylethenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
(6S,7S,8aS)-6-methoxy-2-[(E)-2-phenylethenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol has a molecular weight of 308.33 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,8aS)-6-methoxy-2-[(E)-2-phenylethenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol is sourced from PubChem (CID 176586144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).