N-[9-[(2R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;chloro-deuterio-tritiomethane;N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;methane

C51H63ClN10O10 — CID 158950729

About N-[9-[(2R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;chloro-deuterio-tritiomethane;N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;methane

N-[9-[(2R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;chloro-deuterio-tritiomethane;N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;methane (PubChem CID 158950729) has the molecular formula C51H63ClN10O10 and a molecular weight of 1014.59 g/mol. Its IUPAC name is N-[9-[(2R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;chloro-deuterio-tritiomethane;N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;methane.

Molecular Properties

• Compound Name: N-[9-[(2R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;chloro-deuterio-tritiomethane;N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;methane
• PubChem CID: 158950729
• Molecular Formula: C51H63ClN10O10
• Molecular Weight: 1014.59 g/mol
• Exact Mass: 1013.46
• IUPAC Name: N-[9-[(2R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;chloro-deuterio-tritiomethane;N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;methane
• SMILES: C.CC(C)C(=O)Nc1nc2c(ncn2[C@H]2CC[C@@H](CO)O2)c(=O)[nH]1.COc1ccc(C(OC[C@@H]2CC[C@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)O2)(c2ccccc2)c2ccc(OC)cc2)cc1.[2H]C([3H])Cl
• InChI: InChI=1S/C35H37N5O6.C14H19N5O4.CH3Cl.CH4/c1-22(2)32(41)38-34-37-31-30(33(42)39-34)36-21-40(31)29-19-18-28(46-29)20-45-35(23-8-6-5-7-9-23,24-10-14-26(43-3)15-11-24)25-12-16-27(44-4)17-13-25;1-7(2)12(21)17-14-16-11-10(13(22)18-14)15-6-19(11)9-4-3-8(5-20)23-9;1-2;/h5-17,21-22,28-29H,18-20H2,1-4H3,(H2,37,38,39,41,42);6-9,20H,3-5H2,1-2H3,(H2,16,17,18,21,22);1H3;1H4/t28-,29+;8-,9+;;/m00../s1/i;;1TD
• InChIKey: JLJVAULHEVAEGZ-LSWJTFJDSA-N
• XLogP: 7.29
• TPSA: 251.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1014.59
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[9-[(2R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;chloro-deuterio-tritiomethane;N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;methane?

The IUPAC name of N-[9-[(2R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;chloro-deuterio-tritiomethane;N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;methane (CID 158950729) is N-[9-[(2R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;chloro-deuterio-tritiomethane;N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;methane.

What is the SMILES notation for N-[9-[(2R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;chloro-deuterio-tritiomethane;N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;methane?

The canonical SMILES for N-[9-[(2R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;chloro-deuterio-tritiomethane;N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;methane is C.CC(C)C(=O)Nc1nc2c(ncn2[C@H]2CC[C@@H](CO)O2)c(=O)[nH]1.COc1ccc(C(OC[C@@H]2CC[C@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)O2)(c2ccccc2)c2ccc(OC)cc2)cc1.[2H]C([3H])Cl.

What is the InChIKey of N-[9-[(2R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;chloro-deuterio-tritiomethane;N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;methane?

The InChIKey is JLJVAULHEVAEGZ-LSWJTFJDSA-N. The full InChI is InChI=1S/C35H37N5O6.C14H19N5O4.CH3Cl.CH4/c1-22(2)32(41)38-34-37-31-30(33(42)39-34)36-21-40(31)29-19-18-28(46-29)20-45-35(23-8-6-5-7-9-23,24-10-14-26(43-3)15-11-24)25-12-16-27(44-4)17-13-25;1-7(2)12(21)17-14-16-11-10(13(22)18-14)15-6-19(11)9-4-3-8(5-20)23-9;1-2;/h5-17,21-22,28-29H,18-20H2,1-4H3,(H2,37,38,39,41,42);6-9,20H,3-5H2,1-2H3,(H2,16,17,18,21,22);1H3;1H4/t28-,29+;8-,9+;;/m00../s1/i;;1TD;.

What are the key properties of N-[9-[(2R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;chloro-deuterio-tritiomethane;N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;methane?

N-[9-[(2R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;chloro-deuterio-tritiomethane;N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;methane has a molecular weight of 1014.59 g/mol, XLogP of 7.29, 15 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9-[(2R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;chloro-deuterio-tritiomethane;N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;methane is sourced from PubChem (CID 158950729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).