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

C23H22O5 — CID 15956738

IUPAC(2R,4aR,6S,7R,8R,8aS)-2-naphthalen-1-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
SMILESO[C@@H]1[C@@H](O)[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3cccc4ccccc34)O[C@@H]12
InChIInChI=1S/C23H22O5/c24-19-20(25)22-18(27-21(19)15-8-2-1-3-9-15)13-26-23(28-22)17-12-6-10-14-7-4-5-11-16(14)17/h1-12,18-25H,13H2/t18-,19-,20-,21+,22-,23-/m1/s1
InChIKeyVJOAGXFCVHNIPL-FHJOOOADSA-N
MW378.42 g/mol
LogP3.12
Rot. Bonds2

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

(2R,4aR,6S,7R,8R,8aS)-2-naphthalen-1-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (PubChem CID 15956738) has the molecular formula C23H22O5 and a molecular weight of 378.42 g/mol. Its IUPAC name is (2R,4aR,6S,7R,8R,8aS)-2-naphthalen-1-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol.

Molecular Properties

Compound Name(2R,4aR,6S,7R,8R,8aS)-2-naphthalen-1-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
PubChem CID15956738
Molecular FormulaC23H22O5
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC Name(2R,4aR,6S,7R,8R,8aS)-2-naphthalen-1-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
SMILESO[C@@H]1[C@@H](O)[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3cccc4ccccc34)O[C@@H]12
InChIInChI=1S/C23H22O5/c24-19-20(25)22-18(27-21(19)15-8-2-1-3-9-15)13-26-23(28-22)17-12-6-10-14-7-4-5-11-16(14)17/h1-12,18-25H,13H2/t18-,19-,20-,21+,22-,23-/m1/s1
InChIKeyVJOAGXFCVHNIPL-FHJOOOADSA-N
XLogP3.12
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6S,7R,8R,8aS)-2-naphthalen-1-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
The IUPAC name of (2R,4aR,6S,7R,8R,8aS)-2-naphthalen-1-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (CID 15956738) is (2R,4aR,6S,7R,8R,8aS)-2-naphthalen-1-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol.
What is the SMILES notation for (2R,4aR,6S,7R,8R,8aS)-2-naphthalen-1-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
The canonical SMILES for (2R,4aR,6S,7R,8R,8aS)-2-naphthalen-1-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol is O[C@@H]1[C@@H](O)[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3cccc4ccccc34)O[C@@H]12.
What is the InChIKey of (2R,4aR,6S,7R,8R,8aS)-2-naphthalen-1-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
The InChIKey is VJOAGXFCVHNIPL-FHJOOOADSA-N. The full InChI is InChI=1S/C23H22O5/c24-19-20(25)22-18(27-21(19)15-8-2-1-3-9-15)13-26-23(28-22)17-12-6-10-14-7-4-5-11-16(14)17/h1-12,18-25H,13H2/t18-,19-,20-,21+,22-,23-/m1/s1.
What are the key properties of (2R,4aR,6S,7R,8R,8aS)-2-naphthalen-1-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
(2R,4aR,6S,7R,8R,8aS)-2-naphthalen-1-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol has a molecular weight of 378.42 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,6S,7R,8R,8aS)-2-naphthalen-1-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol is sourced from PubChem (CID 15956738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).