10-methoxy-8-[2-(methoxymethoxy)ethyl]-12-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one

C56H54O11 — CID 15283493

About 10-methoxy-8-[2-(methoxymethoxy)ethyl]-12-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one

10-methoxy-8-[2-(methoxymethoxy)ethyl]-12-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one (PubChem CID 15283493) has the molecular formula C56H54O11 and a molecular weight of 903.04 g/mol. Its IUPAC name is 10-methoxy-8-[2-(methoxymethoxy)ethyl]-12-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one.

Molecular Properties

• Compound Name: 10-methoxy-8-[2-(methoxymethoxy)ethyl]-12-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one
• PubChem CID: 15283493
• Molecular Formula: C56H54O11
• Molecular Weight: 903.04 g/mol
• Exact Mass: 902.37
• IUPAC Name: 10-methoxy-8-[2-(methoxymethoxy)ethyl]-12-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one
• SMILES: COCOCCc1cc(OC)c2c(c1)c(=O)oc1c3cccc(OCc4ccccc4)c3c(O[C@@H]3O[C@@H](C)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)cc12
• InChI: InChI=1S/C56H54O11/c1-37-51(62-33-39-19-10-5-11-20-39)53(63-34-40-21-12-6-13-22-40)54(64-35-41-23-14-7-15-24-41)56(65-37)66-48-31-44-49-45(29-42(30-47(49)59-3)27-28-60-36-58-2)55(57)67-52(44)43-25-16-26-46(50(43)48)61-32-38-17-8-4-9-18-38/h4-26,29-31,37,51,53-54,56H,27-28,32-36H2,1-3H3/t37-,51-,53+,54+,56-/m0/s1
• InChIKey: IOTZGJYBGYOKME-XNGTWVJRSA-N
• XLogP: 10.73
• TPSA: 113.28 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	903.04
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-8-[2-(methoxymethoxy)ethyl]-12-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one?

The IUPAC name of 10-methoxy-8-[2-(methoxymethoxy)ethyl]-12-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one (CID 15283493) is 10-methoxy-8-[2-(methoxymethoxy)ethyl]-12-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one.

What is the SMILES notation for 10-methoxy-8-[2-(methoxymethoxy)ethyl]-12-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one?

The canonical SMILES for 10-methoxy-8-[2-(methoxymethoxy)ethyl]-12-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one is COCOCCc1cc(OC)c2c(c1)c(=O)oc1c3cccc(OCc4ccccc4)c3c(O[C@@H]3O[C@@H](C)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)cc12.

What is the InChIKey of 10-methoxy-8-[2-(methoxymethoxy)ethyl]-12-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one?

The InChIKey is IOTZGJYBGYOKME-XNGTWVJRSA-N. The full InChI is InChI=1S/C56H54O11/c1-37-51(62-33-39-19-10-5-11-20-39)53(63-34-40-21-12-6-13-22-40)54(64-35-41-23-14-7-15-24-41)56(65-37)66-48-31-44-49-45(29-42(30-47(49)59-3)27-28-60-36-58-2)55(57)67-52(44)43-25-16-26-46(50(43)48)61-32-38-17-8-4-9-18-38/h4-26,29-31,37,51,53-54,56H,27-28,32-36H2,1-3H3/t37-,51-,53+,54+,56-/m0/s1.

What are the key properties of 10-methoxy-8-[2-(methoxymethoxy)ethyl]-12-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one?

10-methoxy-8-[2-(methoxymethoxy)ethyl]-12-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one has a molecular weight of 903.04 g/mol, XLogP of 10.73, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 10-methoxy-8-[2-(methoxymethoxy)ethyl]-12-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one is sourced from PubChem (CID 15283493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).