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

C22H26O5 — CID 10292575

IUPAC(2R,4aR,6S,7S,8R,8aR)-6-benzyl-7,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESCO[C@@H]1[C@@H](OC)[C@H](Cc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]12
InChIInChI=1S/C22H26O5/c1-23-19-17(13-15-9-5-3-6-10-15)26-18-14-25-22(16-11-7-4-8-12-16)27-20(18)21(19)24-2/h3-12,17-22H,13-14H2,1-2H3/t17-,18+,19-,20+,21+,22+/m0/s1
InChIKeyFAZKIZKVCQWHFT-NXOOKBFXSA-N
MW370.44 g/mol
LogP3.14
Rot. Bonds5

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

(2R,4aR,6S,7S,8R,8aR)-6-benzyl-7,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (PubChem CID 10292575) has the molecular formula C22H26O5 and a molecular weight of 370.44 g/mol. Its IUPAC name is (2R,4aR,6S,7S,8R,8aR)-6-benzyl-7,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

Molecular Properties

Compound Name(2R,4aR,6S,7S,8R,8aR)-6-benzyl-7,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
PubChem CID10292575
Molecular FormulaC22H26O5
Molecular Weight370.44 g/mol
Exact Mass370.18
IUPAC Name(2R,4aR,6S,7S,8R,8aR)-6-benzyl-7,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESCO[C@@H]1[C@@H](OC)[C@H](Cc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]12
InChIInChI=1S/C22H26O5/c1-23-19-17(13-15-9-5-3-6-10-15)26-18-14-25-22(16-11-7-4-8-12-16)27-20(18)21(19)24-2/h3-12,17-22H,13-14H2,1-2H3/t17-,18+,19-,20+,21+,22+/m0/s1
InChIKeyFAZKIZKVCQWHFT-NXOOKBFXSA-N
XLogP3.14
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,4aR,6S,7S,8R,8aR)-6-benzyl-7,8-dimethoxy-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,7S,8R,8aR)-6-benzyl-7,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The IUPAC name of (2R,4aR,6S,7S,8R,8aR)-6-benzyl-7,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (CID 10292575) is (2R,4aR,6S,7S,8R,8aR)-6-benzyl-7,8-dimethoxy-2-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)-6-benzyl-7,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The canonical SMILES for (2R,4aR,6S,7S,8R,8aR)-6-benzyl-7,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is CO[C@@H]1[C@@H](OC)[C@H](Cc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]12.
What is the InChIKey of (2R,4aR,6S,7S,8R,8aR)-6-benzyl-7,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The InChIKey is FAZKIZKVCQWHFT-NXOOKBFXSA-N. The full InChI is InChI=1S/C22H26O5/c1-23-19-17(13-15-9-5-3-6-10-15)26-18-14-25-22(16-11-7-4-8-12-16)27-20(18)21(19)24-2/h3-12,17-22H,13-14H2,1-2H3/t17-,18+,19-,20+,21+,22+/m0/s1.
What are the key properties of (2R,4aR,6S,7S,8R,8aR)-6-benzyl-7,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
(2R,4aR,6S,7S,8R,8aR)-6-benzyl-7,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine has a molecular weight of 370.44 g/mol, XLogP of 3.14, 5 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)-6-benzyl-7,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 10292575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).