6-[[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;2-azido-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;9H-fluoren-9-ylmethyl N-[5-amino-6-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]carbamate

C105H128N20O21 — CID 159951807

About 6-[[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;2-azido-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;9H-fluoren-9-ylmethyl N-[5-amino-6-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]carbamate

6-[[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;2-azido-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;9H-fluoren-9-ylmethyl N-[5-amino-6-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]carbamate (PubChem CID 159951807) has the molecular formula C105H128N20O21 and a molecular weight of 2006.30 g/mol. Its IUPAC name is 6-[[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;2-azido-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;9H-fluoren-9-ylmethyl N-[5-amino-6-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]carbamate.

Molecular Properties

• Compound Name: 6-[[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;2-azido-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;9H-fluoren-9-ylmethyl N-[5-amino-6-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]carbamate
• PubChem CID: 159951807
• Molecular Formula: C105H128N20O21
• Molecular Weight: 2006.30 g/mol
• Exact Mass: 2004.96
• IUPAC Name: 6-[[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;2-azido-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;9H-fluoren-9-ylmethyl N-[5-amino-6-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]carbamate
• SMILES: NC(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.NCCOCCOCCOCCOCc1ccc(COc2nc(N)nc3nc[nH]c23)cc1.Nc1nc(OCc2ccc(COCCOCCOCCOCCNC(=O)C(N)CCCCNC(=O)OCC3c4ccccc4-c4ccccc43)cc2)c2[nH]cnc2n1.[N-]=[N+]=NC(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
• InChI: InChI=1S/C42H52N8O8.C21H30N6O5.C21H22N4O4.C21H24N2O4/c43-36(11-5-6-16-46-42(52)58-27-35-33-9-3-1-7-31(33)32-8-2-4-10-34(32)35)39(51)45-17-18-53-19-20-54-21-22-55-23-24-56-25-29-12-14-30(15-13-29)26-57-40-37-38(48-28-47-37)49-41(44)50-40;22-5-6-28-7-8-29-9-10-30-11-12-31-13-16-1-3-17(4-2-16)14-32-20-18-19(25-15-24-18)26-21(23)27-20;22-25-24-19(20(26)27)11-5-6-12-23-21(28)29-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18;22-19(20(24)25)11-5-6-12-23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,12-15,28,35-36H,5-6,11,16-27,43H2,(H,45,51)(H,46,52)(H3,44,47,48,49,50);1-4,15H,5-14,22H2,(H3,23,24,25,26,27);1-4,7-10,18-19H,5-6,11-13H2,(H,23,28)(H,26,27);1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25)
• InChIKey: OCFCTCMGNZCPKD-UHFFFAOYSA-N
• XLogP: 12.84
• TPSA: 598.77 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 31
• Rotatable Bonds: 58
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2006.30
LogP ≤ 5	12.84
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;2-azido-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;9H-fluoren-9-ylmethyl N-[5-amino-6-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]carbamate?

The IUPAC name of 6-[[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;2-azido-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;9H-fluoren-9-ylmethyl N-[5-amino-6-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]carbamate (CID 159951807) is 6-[[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;2-azido-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;9H-fluoren-9-ylmethyl N-[5-amino-6-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]carbamate.

What is the SMILES notation for 6-[[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;2-azido-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;9H-fluoren-9-ylmethyl N-[5-amino-6-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]carbamate?

The canonical SMILES for 6-[[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;2-azido-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;9H-fluoren-9-ylmethyl N-[5-amino-6-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]carbamate is NC(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.NCCOCCOCCOCCOCc1ccc(COc2nc(N)nc3nc[nH]c23)cc1.Nc1nc(OCc2ccc(COCCOCCOCCOCCNC(=O)C(N)CCCCNC(=O)OCC3c4ccccc4-c4ccccc43)cc2)c2[nH]cnc2n1.[N-]=[N+]=NC(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.

What is the InChIKey of 6-[[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;2-azido-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;9H-fluoren-9-ylmethyl N-[5-amino-6-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]carbamate?

The InChIKey is OCFCTCMGNZCPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H52N8O8.C21H30N6O5.C21H22N4O4.C21H24N2O4/c43-36(11-5-6-16-46-42(52)58-27-35-33-9-3-1-7-31(33)32-8-2-4-10-34(32)35)39(51)45-17-18-53-19-20-54-21-22-55-23-24-56-25-29-12-14-30(15-13-29)26-57-40-37-38(48-28-47-37)49-41(44)50-40;22-5-6-28-7-8-29-9-10-30-11-12-31-13-16-1-3-17(4-2-16)14-32-20-18-19(25-15-24-18)26-21(23)27-20;22-25-24-19(20(26)27)11-5-6-12-23-21(28)29-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18;22-19(20(24)25)11-5-6-12-23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,12-15,28,35-36H,5-6,11,16-27,43H2,(H,45,51)(H,46,52)(H3,44,47,48,49,50);1-4,15H,5-14,22H2,(H3,23,24,25,26,27);1-4,7-10,18-19H,5-6,11-13H2,(H,23,28)(H,26,27);1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25).

What are the key properties of 6-[[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;2-azido-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;9H-fluoren-9-ylmethyl N-[5-amino-6-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]carbamate?

6-[[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;2-azido-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;9H-fluoren-9-ylmethyl N-[5-amino-6-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]carbamate has a molecular weight of 2006.30 g/mol, XLogP of 12.84, 58 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;2-azido-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;9H-fluoren-9-ylmethyl N-[5-amino-6-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]carbamate is sourced from PubChem (CID 159951807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).