N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-[(2-methoxyacetyl)amino]purin-6-yl]-2-methylpropanamide

C48H64N6O10Si — CID 101377933

About N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-[(2-methoxyacetyl)amino]purin-6-yl]-2-methylpropanamide

N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-[(2-methoxyacetyl)amino]purin-6-yl]-2-methylpropanamide (PubChem CID 101377933) has the molecular formula C48H64N6O10Si and a molecular weight of 913.16 g/mol. Its IUPAC name is N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-[(2-methoxyacetyl)amino]purin-6-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-[(2-methoxyacetyl)amino]purin-6-yl]-2-methylpropanamide
• PubChem CID: 101377933
• Molecular Formula: C48H64N6O10Si
• Molecular Weight: 913.16 g/mol
• Exact Mass: 912.45
• IUPAC Name: N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-[(2-methoxyacetyl)amino]purin-6-yl]-2-methylpropanamide
• SMILES: COCC(=O)Nc1nc(NC(=O)C(C)C)c2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)[C@@H](O)[C@H]3OCO[Si](C(C)C)(C(C)C)C(C)C)c2n1
• InChI: InChI=1S/C48H64N6O10Si/c1-29(2)45(57)51-43-40-44(53-47(52-43)50-39(55)26-58-9)54(27-49-40)46-42(61-28-63-65(30(3)4,31(5)6)32(7)8)41(56)38(64-46)25-62-48(33-15-13-12-14-16-33,34-17-21-36(59-10)22-18-34)35-19-23-37(60-11)24-20-35/h12-24,27,29-32,38,41-42,46,56H,25-26,28H2,1-11H3,(H2,50,51,52,53,55,57)/t38-,41-,42-,46-/m1/s1
• InChIKey: SXMQZWSCQSWYTD-ILDNHEEJSA-N
• XLogP: 7.82
• TPSA: 186.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	913.16
LogP ≤ 5	7.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-[(2-methoxyacetyl)amino]purin-6-yl]-2-methylpropanamide?

The IUPAC name of N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-[(2-methoxyacetyl)amino]purin-6-yl]-2-methylpropanamide (CID 101377933) is N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-[(2-methoxyacetyl)amino]purin-6-yl]-2-methylpropanamide.

What is the SMILES notation for N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-[(2-methoxyacetyl)amino]purin-6-yl]-2-methylpropanamide?

The canonical SMILES for N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-[(2-methoxyacetyl)amino]purin-6-yl]-2-methylpropanamide is COCC(=O)Nc1nc(NC(=O)C(C)C)c2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)[C@@H](O)[C@H]3OCO[Si](C(C)C)(C(C)C)C(C)C)c2n1.

What is the InChIKey of N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-[(2-methoxyacetyl)amino]purin-6-yl]-2-methylpropanamide?

The InChIKey is SXMQZWSCQSWYTD-ILDNHEEJSA-N. The full InChI is InChI=1S/C48H64N6O10Si/c1-29(2)45(57)51-43-40-44(53-47(52-43)50-39(55)26-58-9)54(27-49-40)46-42(61-28-63-65(30(3)4,31(5)6)32(7)8)41(56)38(64-46)25-62-48(33-15-13-12-14-16-33,34-17-21-36(59-10)22-18-34)35-19-23-37(60-11)24-20-35/h12-24,27,29-32,38,41-42,46,56H,25-26,28H2,1-11H3,(H2,50,51,52,53,55,57)/t38-,41-,42-,46-/m1/s1.

What are the key properties of N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-[(2-methoxyacetyl)amino]purin-6-yl]-2-methylpropanamide?

N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-[(2-methoxyacetyl)amino]purin-6-yl]-2-methylpropanamide has a molecular weight of 913.16 g/mol, XLogP of 7.82, 21 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-[(2-methoxyacetyl)amino]purin-6-yl]-2-methylpropanamide is sourced from PubChem (CID 101377933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).