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

C25H26O5 — CID 11524286

IUPAC(2R,4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-naphthalen-2-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESCO[C@@H]1[C@@H](OC)[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccc4ccccc4c3)O[C@@H]12
InChIInChI=1S/C25H26O5/c1-26-23-21(17-9-4-3-5-10-17)29-20-15-28-25(30-22(20)24(23)27-2)19-13-12-16-8-6-7-11-18(16)14-19/h3-14,20-25H,15H2,1-2H3/t20-,21+,22-,23+,24+,25-/m1/s1
InChIKeyAVLPLHDSANEDSO-PROFCWERSA-N
MW406.48 g/mol
LogP4.42
Rot. Bonds4

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

(2R,4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-naphthalen-2-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (PubChem CID 11524286) has the molecular formula C25H26O5 and a molecular weight of 406.48 g/mol. Its IUPAC name is (2R,4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-naphthalen-2-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

Molecular Properties

Compound Name(2R,4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-naphthalen-2-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
PubChem CID11524286
Molecular FormulaC25H26O5
Molecular Weight406.48 g/mol
Exact Mass406.18
IUPAC Name(2R,4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-naphthalen-2-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESCO[C@@H]1[C@@H](OC)[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccc4ccccc4c3)O[C@@H]12
InChIInChI=1S/C25H26O5/c1-26-23-21(17-9-4-3-5-10-17)29-20-15-28-25(30-22(20)24(23)27-2)19-13-12-16-8-6-7-11-18(16)14-19/h3-14,20-25H,15H2,1-2H3/t20-,21+,22-,23+,24+,25-/m1/s1
InChIKeyAVLPLHDSANEDSO-PROFCWERSA-N
XLogP4.42
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-naphthalen-2-yl-6-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,7S,8R,8aR)-7,8-dimethoxy-2-naphthalen-2-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The IUPAC name of (2R,4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-naphthalen-2-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (CID 11524286) is (2R,4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-naphthalen-2-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.
What is the SMILES notation for (2R,4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-naphthalen-2-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The canonical SMILES for (2R,4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-naphthalen-2-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is CO[C@@H]1[C@@H](OC)[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccc4ccccc4c3)O[C@@H]12.
What is the InChIKey of (2R,4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-naphthalen-2-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The InChIKey is AVLPLHDSANEDSO-PROFCWERSA-N. The full InChI is InChI=1S/C25H26O5/c1-26-23-21(17-9-4-3-5-10-17)29-20-15-28-25(30-22(20)24(23)27-2)19-13-12-16-8-6-7-11-18(16)14-19/h3-14,20-25H,15H2,1-2H3/t20-,21+,22-,23+,24+,25-/m1/s1.
What are the key properties of (2R,4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-naphthalen-2-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
(2R,4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-naphthalen-2-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine has a molecular weight of 406.48 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-naphthalen-2-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 11524286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).