[2-hydroxy-3-[8-[[2-[1-hydroxy-2-[2-[3-hydroxy-4-(hydroxymethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]oxyethoxy]naphthalen-1-yl]methyl]naphthalen-2-yl]oxypropyl] 2-(3-hydroxy-4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate;methane

C59H48N2O16 — CID 161340286

About [2-hydroxy-3-[8-[[2-[1-hydroxy-2-[2-[3-hydroxy-4-(hydroxymethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]oxyethoxy]naphthalen-1-yl]methyl]naphthalen-2-yl]oxypropyl] 2-(3-hydroxy-4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate;methane

[2-hydroxy-3-[8-[[2-[1-hydroxy-2-[2-[3-hydroxy-4-(hydroxymethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]oxyethoxy]naphthalen-1-yl]methyl]naphthalen-2-yl]oxypropyl] 2-(3-hydroxy-4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate;methane (PubChem CID 161340286) has the molecular formula C59H48N2O16 and a molecular weight of 1041.03 g/mol. Its IUPAC name is [2-hydroxy-3-[8-[[2-[1-hydroxy-2-[2-[3-hydroxy-4-(hydroxymethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]oxyethoxy]naphthalen-1-yl]methyl]naphthalen-2-yl]oxypropyl] 2-(3-hydroxy-4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate;methane.

Molecular Properties

• Compound Name: [2-hydroxy-3-[8-[[2-[1-hydroxy-2-[2-[3-hydroxy-4-(hydroxymethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]oxyethoxy]naphthalen-1-yl]methyl]naphthalen-2-yl]oxypropyl] 2-(3-hydroxy-4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate;methane
• PubChem CID: 161340286
• Molecular Formula: C59H48N2O16
• Molecular Weight: 1041.03 g/mol
• Exact Mass: 1040.30
• IUPAC Name: [2-hydroxy-3-[8-[[2-[1-hydroxy-2-[2-[3-hydroxy-4-(hydroxymethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]oxyethoxy]naphthalen-1-yl]methyl]naphthalen-2-yl]oxypropyl] 2-(3-hydroxy-4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate;methane
• SMILES: C.COc1ccc(N2C(=O)c3ccc(C(=O)OCC(O)COc4ccc5cccc(Cc6c(OC(O)COC(=O)c7ccc8c(c7)C(=O)N(c7ccc(CO)c(O)c7)C8=O)ccc7ccccc67)c5c4)cc3C2=O)cc1O
• InChI: InChI=1S/C58H44N2O16.CH4/c1-72-51-20-15-38(25-49(51)64)60-54(67)43-17-11-34(22-46(43)56(60)69)57(70)74-29-39(62)28-73-40-16-10-32-6-4-7-33(44(32)26-40)21-45-41-8-3-2-5-31(41)13-19-50(45)76-52(65)30-75-58(71)35-12-18-42-47(23-35)55(68)59(53(42)66)37-14-9-36(27-61)48(63)24-37;/h2-20,22-26,39,52,61-65H,21,27-30H2,1H3;1H4
• InChIKey: VMOMPOMUXVJXPB-UHFFFAOYSA-N
• XLogP: 7.88
• TPSA: 256.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1041.03
LogP ≤ 5	7.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[8-[[2-[1-hydroxy-2-[2-[3-hydroxy-4-(hydroxymethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]oxyethoxy]naphthalen-1-yl]methyl]naphthalen-2-yl]oxypropyl] 2-(3-hydroxy-4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate;methane?

The IUPAC name of [2-hydroxy-3-[8-[[2-[1-hydroxy-2-[2-[3-hydroxy-4-(hydroxymethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]oxyethoxy]naphthalen-1-yl]methyl]naphthalen-2-yl]oxypropyl] 2-(3-hydroxy-4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate;methane (CID 161340286) is [2-hydroxy-3-[8-[[2-[1-hydroxy-2-[2-[3-hydroxy-4-(hydroxymethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]oxyethoxy]naphthalen-1-yl]methyl]naphthalen-2-yl]oxypropyl] 2-(3-hydroxy-4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate;methane.

What is the SMILES notation for [2-hydroxy-3-[8-[[2-[1-hydroxy-2-[2-[3-hydroxy-4-(hydroxymethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]oxyethoxy]naphthalen-1-yl]methyl]naphthalen-2-yl]oxypropyl] 2-(3-hydroxy-4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate;methane?

The canonical SMILES for [2-hydroxy-3-[8-[[2-[1-hydroxy-2-[2-[3-hydroxy-4-(hydroxymethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]oxyethoxy]naphthalen-1-yl]methyl]naphthalen-2-yl]oxypropyl] 2-(3-hydroxy-4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate;methane is C.COc1ccc(N2C(=O)c3ccc(C(=O)OCC(O)COc4ccc5cccc(Cc6c(OC(O)COC(=O)c7ccc8c(c7)C(=O)N(c7ccc(CO)c(O)c7)C8=O)ccc7ccccc67)c5c4)cc3C2=O)cc1O.

What is the InChIKey of [2-hydroxy-3-[8-[[2-[1-hydroxy-2-[2-[3-hydroxy-4-(hydroxymethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]oxyethoxy]naphthalen-1-yl]methyl]naphthalen-2-yl]oxypropyl] 2-(3-hydroxy-4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate;methane?

The InChIKey is VMOMPOMUXVJXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2O16.CH4/c1-72-51-20-15-38(25-49(51)64)60-54(67)43-17-11-34(22-46(43)56(60)69)57(70)74-29-39(62)28-73-40-16-10-32-6-4-7-33(44(32)26-40)21-45-41-8-3-2-5-31(41)13-19-50(45)76-52(65)30-75-58(71)35-12-18-42-47(23-35)55(68)59(53(42)66)37-14-9-36(27-61)48(63)24-37;/h2-20,22-26,39,52,61-65H,21,27-30H2,1H3;1H4.

What are the key properties of [2-hydroxy-3-[8-[[2-[1-hydroxy-2-[2-[3-hydroxy-4-(hydroxymethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]oxyethoxy]naphthalen-1-yl]methyl]naphthalen-2-yl]oxypropyl] 2-(3-hydroxy-4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate;methane?

[2-hydroxy-3-[8-[[2-[1-hydroxy-2-[2-[3-hydroxy-4-(hydroxymethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]oxyethoxy]naphthalen-1-yl]methyl]naphthalen-2-yl]oxypropyl] 2-(3-hydroxy-4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate;methane has a molecular weight of 1041.03 g/mol, XLogP of 7.88, 17 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [2-hydroxy-3-[8-[[2-[1-hydroxy-2-[2-[3-hydroxy-4-(hydroxymethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]oxyethoxy]naphthalen-1-yl]methyl]naphthalen-2-yl]oxypropyl] 2-(3-hydroxy-4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate;methane is sourced from PubChem (CID 161340286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).