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

C16H22O6 — CID 10884783

IUPAC(2R,4aR,6S,7R,8S,8aR)-6,7,8-trimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESCO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OC)[C@H]1OC
InChIInChI=1S/C16H22O6/c1-17-13-12-11(21-16(19-3)14(13)18-2)9-20-15(22-12)10-7-5-4-6-8-10/h4-8,11-16H,9H2,1-3H3/t11-,12-,13+,14-,15-,16+/m1/s1
InChIKeyZOYHXXDGSUTGIY-AQGHMYMLSA-N
MW310.35 g/mol
LogP1.50
Rot. Bonds4

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

(2R,4aR,6S,7R,8S,8aR)-6,7,8-trimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (PubChem CID 10884783) has the molecular formula C16H22O6 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2R,4aR,6S,7R,8S,8aR)-6,7,8-trimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

Molecular Properties

Compound Name(2R,4aR,6S,7R,8S,8aR)-6,7,8-trimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
PubChem CID10884783
Molecular FormulaC16H22O6
Molecular Weight310.35 g/mol
Exact Mass310.14
IUPAC Name(2R,4aR,6S,7R,8S,8aR)-6,7,8-trimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESCO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OC)[C@H]1OC
InChIInChI=1S/C16H22O6/c1-17-13-12-11(21-16(19-3)14(13)18-2)9-20-15(22-12)10-7-5-4-6-8-10/h4-8,11-16H,9H2,1-3H3/t11-,12-,13+,14-,15-,16+/m1/s1
InChIKeyZOYHXXDGSUTGIY-AQGHMYMLSA-N
XLogP1.50
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,4aR,6S,7R,8S,8aR)-6,7,8-trimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6S,7R,8S,8aR)-6,7,8-trimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The IUPAC name of (2R,4aR,6S,7R,8S,8aR)-6,7,8-trimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (CID 10884783) is (2R,4aR,6S,7R,8S,8aR)-6,7,8-trimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.
What is the SMILES notation for (2R,4aR,6S,7R,8S,8aR)-6,7,8-trimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The canonical SMILES for (2R,4aR,6S,7R,8S,8aR)-6,7,8-trimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OC)[C@H]1OC.
What is the InChIKey of (2R,4aR,6S,7R,8S,8aR)-6,7,8-trimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The InChIKey is ZOYHXXDGSUTGIY-AQGHMYMLSA-N. The full InChI is InChI=1S/C16H22O6/c1-17-13-12-11(21-16(19-3)14(13)18-2)9-20-15(22-12)10-7-5-4-6-8-10/h4-8,11-16H,9H2,1-3H3/t11-,12-,13+,14-,15-,16+/m1/s1.
What are the key properties of (2R,4aR,6S,7R,8S,8aR)-6,7,8-trimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
(2R,4aR,6S,7R,8S,8aR)-6,7,8-trimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine has a molecular weight of 310.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,6S,7R,8S,8aR)-6,7,8-trimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 10884783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).