[(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;[(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)oxan-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;sulfane

C117H141N35O22P4S4 — CID 165074273

About [(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;[(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)oxan-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;sulfane

[(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;[(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)oxan-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;sulfane (PubChem CID 165074273) has the molecular formula C117H141N35O22P4S4 and a molecular weight of 2641.80 g/mol. Its IUPAC name is [(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;[(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)oxan-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;sulfane.

Molecular Properties

• Compound Name: [(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;[(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)oxan-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;sulfane
• PubChem CID: 165074273
• Molecular Formula: C117H141N35O22P4S4
• Molecular Weight: 2641.80 g/mol
• Exact Mass: 2639.88
• IUPAC Name: [(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;[(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)oxan-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;sulfane
• SMILES: Cc1nc(NCC(C)C)nc2c1ncn2[C@H]1CN([P@@](C)(=O)OCC2CCC[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)O2)C[C@@H](CO[P@](C)(=O)N2C[C@@H](COC(=O)c3ccccc3)O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C2)O1.Cc1nc(NCC(C)C)nc2c1ncn2[C@H]1CN([P@@](C)(=O)OCC2CNC[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)O2)C[C@@H](CO[P@](C)(=O)N2C[C@@H](COC(=O)c3ccccc3)O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C2)O1.S.S.S.S
• InChI: InChI=1S/C59H67N17O11P2.C58H66N18O11P2.4H2S/c1-37(2)24-60-59-68-38(3)48-55(71-59)76(34-65-48)47-28-73(88(4,80)83-30-42-22-15-23-45(85-42)74-35-66-49-51(61-32-63-53(49)74)69-56(77)39-16-9-6-10-17-39)26-44(87-47)31-84-89(5,81)72-25-43(29-82-58(79)41-20-13-8-14-21-41)86-46(27-72)75-36-67-50-52(62-33-64-54(50)75)70-57(78)40-18-11-7-12-19-40;1-36(2)21-60-58-68-37(3)47-54(71-58)76(33-65-47)46-27-73(88(4,80)83-29-41-22-59-23-44(85-41)74-34-66-48-50(61-31-63-52(48)74)69-55(77)38-15-9-6-10-16-38)25-43(87-46)30-84-89(5,81)72-24-42(28-82-57(79)40-19-13-8-14-20-40)86-45(26-72)75-35-67-49-51(62-32-64-53(49)75)70-56(78)39-17-11-7-12-18-39;;;;/h6-14,16-21,32-37,42-47H,15,22-31H2,1-5H3,(H,60,68,71)(H,61,63,69,77)(H,62,64,70,78);6-20,31-36,41-46,59H,21-30H2,1-5H3,(H,60,68,71)(H,61,63,69,77)(H,62,64,70,78);4*1H2/t42?,43-,44-,45+,46+,47+,88-,89-;41?,42-,43-,44+,45+,46+,88-,89-;;;;/m00..../s1
• InChIKey: UATUYJNHMNGSEZ-FMLOSVFASA-N
• XLogP: 15.65
• TPSA: 640.23 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 49
• Rotatable Bonds: 42
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2641.80
LogP ≤ 5	15.65
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;[(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)oxan-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;sulfane?

The IUPAC name of [(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;[(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)oxan-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;sulfane (CID 165074273) is [(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;[(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)oxan-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;sulfane.

What is the SMILES notation for [(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;[(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)oxan-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;sulfane?

The canonical SMILES for [(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;[(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)oxan-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;sulfane is Cc1nc(NCC(C)C)nc2c1ncn2[C@H]1CN([P@@](C)(=O)OCC2CCC[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)O2)C[C@@H](CO[P@](C)(=O)N2C[C@@H](COC(=O)c3ccccc3)O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C2)O1.Cc1nc(NCC(C)C)nc2c1ncn2[C@H]1CN([P@@](C)(=O)OCC2CNC[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)O2)C[C@@H](CO[P@](C)(=O)N2C[C@@H](COC(=O)c3ccccc3)O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C2)O1.S.S.S.S.

What is the InChIKey of [(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;[(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)oxan-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;sulfane?

The InChIKey is UATUYJNHMNGSEZ-FMLOSVFASA-N. The full InChI is InChI=1S/C59H67N17O11P2.C58H66N18O11P2.4H2S/c1-37(2)24-60-59-68-38(3)48-55(71-59)76(34-65-48)47-28-73(88(4,80)83-30-42-22-15-23-45(85-42)74-35-66-49-51(61-32-63-53(49)74)69-56(77)39-16-9-6-10-17-39)26-44(87-47)31-84-89(5,81)72-25-43(29-82-58(79)41-20-13-8-14-21-41)86-46(27-72)75-36-67-50-52(62-33-64-54(50)75)70-57(78)40-18-11-7-12-19-40;1-36(2)21-60-58-68-37(3)47-54(71-58)76(33-65-47)46-27-73(88(4,80)83-29-41-22-59-23-44(85-41)74-34-66-48-50(61-31-63-52(48)74)69-55(77)38-15-9-6-10-16-38)25-43(87-46)30-84-89(5,81)72-24-42(28-82-57(79)40-19-13-8-14-20-40)86-45(26-72)75-35-67-49-51(62-32-64-53(49)75)70-56(78)39-17-11-7-12-18-39;;;;/h6-14,16-21,32-37,42-47H,15,22-31H2,1-5H3,(H,60,68,71)(H,61,63,69,77)(H,62,64,70,78);6-20,31-36,41-46,59H,21-30H2,1-5H3,(H,60,68,71)(H,61,63,69,77)(H,62,64,70,78);4*1H2/t42?,43-,44-,45+,46+,47+,88-,89-;41?,42-,43-,44+,45+,46+,88-,89-;;;;/m00..../s1.

What are the key properties of [(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;[(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)oxan-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;sulfane?

[(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;[(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)oxan-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;sulfane has a molecular weight of 2641.80 g/mol, XLogP of 15.65, 42 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;[(2S,6R)-6-(6-benzamidopurin-9-yl)-4-[[(2S,6R)-4-[[(6R)-6-(6-benzamidopurin-9-yl)oxan-2-yl]methoxy-methylphosphoryl]-6-[6-methyl-2-(2-methylpropylamino)purin-9-yl]morpholin-2-yl]methoxy-methylphosphoryl]morpholin-2-yl]methyl benzoate;sulfane is sourced from PubChem (CID 165074273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).