(4R)-4,5-dihydroxy-1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]pentan-1-one

C27H27NO7 — CID 157326078

About (4R)-4,5-dihydroxy-1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]pentan-1-one

(4R)-4,5-dihydroxy-1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]pentan-1-one (PubChem CID 157326078) has the molecular formula C27H27NO7 and a molecular weight of 477.51 g/mol. Its IUPAC name is (4R)-4,5-dihydroxy-1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]pentan-1-one.

Molecular Properties

• Compound Name: (4R)-4,5-dihydroxy-1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]pentan-1-one
• PubChem CID: 157326078
• Molecular Formula: C27H27NO7
• Molecular Weight: 477.51 g/mol
• Exact Mass: 477.18
• IUPAC Name: (4R)-4,5-dihydroxy-1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]pentan-1-one
• SMILES: COc1cc(-c2cc3nccc(-c4cccc(C(=O)CC[C@@H](O)CO)c4)c3o2)cc(OC)c1OC
• InChI: InChI=1S/C27H27NO7/c1-32-24-12-18(13-25(33-2)27(24)34-3)23-14-21-26(35-23)20(9-10-28-21)16-5-4-6-17(11-16)22(31)8-7-19(30)15-29/h4-6,9-14,19,29-30H,7-8,15H2,1-3H3/t19-/m1/s1
• InChIKey: BESRTPFZEVTEGG-LJQANCHMSA-N
• XLogP: 4.50
• TPSA: 111.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.51
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4R)-4,5-dihydroxy-1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]pentan-1-one?

The IUPAC name of (4R)-4,5-dihydroxy-1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]pentan-1-one (CID 157326078) is (4R)-4,5-dihydroxy-1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]pentan-1-one.

What is the SMILES notation for (4R)-4,5-dihydroxy-1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]pentan-1-one?

The canonical SMILES for (4R)-4,5-dihydroxy-1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]pentan-1-one is COc1cc(-c2cc3nccc(-c4cccc(C(=O)CC[C@@H](O)CO)c4)c3o2)cc(OC)c1OC.

What is the InChIKey of (4R)-4,5-dihydroxy-1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]pentan-1-one?

The InChIKey is BESRTPFZEVTEGG-LJQANCHMSA-N. The full InChI is InChI=1S/C27H27NO7/c1-32-24-12-18(13-25(33-2)27(24)34-3)23-14-21-26(35-23)20(9-10-28-21)16-5-4-6-17(11-16)22(31)8-7-19(30)15-29/h4-6,9-14,19,29-30H,7-8,15H2,1-3H3/t19-/m1/s1.

What are the key properties of (4R)-4,5-dihydroxy-1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]pentan-1-one?

(4R)-4,5-dihydroxy-1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]pentan-1-one has a molecular weight of 477.51 g/mol, XLogP of 4.50, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4,5-dihydroxy-1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]pentan-1-one is sourced from PubChem (CID 157326078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).