4,6-O-Benzylidene-D-Glucopyranose

• CAS: 97232-16-1
• Catalog Number: ACM97232161
• Category: Other Products
• Molecular Weight: 268.26
• Molecular Formula: C13H16O6
• Synonyms: 4,6-O-Benzylidene-glucopyranos
• IUPAC Name: (4aR,7R,8R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
• Canonical SMILES: C1[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)OC(O1)C3=CC=CC=C3
• InChI: InChI=1S/C13H16O6/c14-9-10(15)12(16)18-8-6-17-13(19-11(8)9)7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10-,11-,12?,13?/m1/s1
• InChI Key: FOLRUCXBTYDAQK-SFZUHQLGSA-N
• Boiling Point: 483.395ºC at 760 mmHg
• Flash Point: 246.148ºC
• Density: 1.437g/cm³
• Appearance: Solid
• Exact Mass: 268.09500
• H-Bond Acceptor: 6
• H-Bond Donor: 3

Custom Q&A

What is the molecular formula of 4,6-O-Benzylidene-D-glucopyranose?

The molecular formula is C13H16O6.

What is the molecular weight of 4,6-O-Benzylidene-D-glucopyranose?

The molecular weight is 268.26 g/mol.

What is the IUPAC name of 4,6-O-Benzylidene-D-glucopyranose?

The IUPAC name is (4aR,7R,8R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol.

What is the InChI of 4,6-O-Benzylidene-D-glucopyranose?

The InChI is InChI=1S/C13H16O6/c14-9-10(15)12(16)18-8-6-17-13(19-11(8)9)7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10-,11-,12?,13?/m1/s1.

What is the InChIKey of 4,6-O-Benzylidene-D-glucopyranose?

The InChIKey is FOLRUCXBTYDAQK-SFZUHQLGSA-N.

What is the canonical SMILES of 4,6-O-Benzylidene-D-glucopyranose?

The canonical SMILES is C1C2C(C(C(C(O2)O)O)O)OC(O1)C3=CC=CC=C3.

How many hydrogen bond donor counts does 4,6-O-Benzylidene-D-glucopyranose have?

It has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 4,6-O-Benzylidene-D-glucopyranose have?

It has 6 hydrogen bond acceptor counts.

How many rotatable bond counts does 4,6-O-Benzylidene-D-glucopyranose have?

It has 1 rotatable bond count.

Is 4,6-O-Benzylidene-D-glucopyranose a canonicalized compound?

Yes, it is a canonicalized compound.