[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl benzoate

C108H129N30O29P5 — CID 171544486

About [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl benzoate

[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl benzoate (PubChem CID 171544486) has the molecular formula C108H129N30O29P5 and a molecular weight of 2466.27 g/mol. Its IUPAC name is [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl benzoate.

Molecular Properties

• Compound Name: [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl benzoate
• PubChem CID: 171544486
• Molecular Formula: C108H129N30O29P5
• Molecular Weight: 2466.27 g/mol
• Exact Mass: 2464.82
• IUPAC Name: [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl benzoate
• SMILES: Cc1cn([C@H]2CN([P@@](=O)(OC[C@@H]3CN([P@@](=O)(OC[C@@H]4CN([P@@](=O)(OC[C@@H]5CNC[C@H](n6ccc(NC(=O)c7ccccc7)nc6=O)O5)N(C)C)C[C@H](n5cnc6c(NC(=O)c7ccccc7)ncnc65)O4)N(C)C)C[C@H](n4ccc(NC(=O)c5ccccc5)nc4=O)O3)N(C)C)C[C@@H](CO[P@@](=O)(N(C)C)N3C[C@@H](CO[P@@](=O)(N(C)C)N4C[C@@H](COC(=O)c5ccccc5)O[C@@H](n5ccc(NC(=O)c6ccccc6)nc5=O)C4)O[C@@H](n4ccc(NC(=O)c5ccccc5)nc4=O)C3)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/C108H129N30O29P5/c1-71-52-137(108(150)122-97(71)139)92-61-131(56-82(166-92)67-160-170(153,125(6)7)129-54-80(164-90(59-129)135-48-44-86(119-106(135)148)115-100(142)74-34-22-14-23-35-74)65-158-169(152,124(4)5)128-53-79(63-156-103(145)77-40-28-17-29-41-77)163-89(58-128)134-47-43-85(118-105(134)147)114-99(141)73-32-20-13-21-33-73)172(155,127(10)11)159-66-81-55-130(60-91(165-81)136-49-45-87(120-107(136)149)116-101(143)75-36-24-15-25-37-75)171(154,126(8)9)161-68-83-57-132(62-93(167-83)138-70-112-94-95(110-69-111-96(94)138)121-102(144)76-38-26-16-27-39-76)168(151,123(2)3)157-64-78-50-109-51-88(162-78)133-46-42-84(117-104(133)146)113-98(140)72-30-18-12-19-31-72/h12-49,52,69-70,78-83,88-93,109H,50-51,53-68H2,1-11H3,(H,122,139,150)(H,110,111,121,144)(H,113,117,140,146)(H,114,118,141,147)(H,115,119,142,148)(H,116,120,143,149)/t78-,79-,80-,81-,82-,83-,88+,89+,90+,91+,92+,93+,168-,169-,170-,171-,172-/m0/s1
• InChIKey: MOJNRBWCLQWTTB-QUINAYNASA-N
• XLogP: 7.75
• TPSA: 641.13 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 43
• Rotatable Bonds: 44
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2466.27
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl benzoate?

The IUPAC name of [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl benzoate (CID 171544486) is [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl benzoate.

What is the SMILES notation for [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl benzoate?

The canonical SMILES for [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl benzoate is Cc1cn([C@H]2CN([P@@](=O)(OC[C@@H]3CN([P@@](=O)(OC[C@@H]4CN([P@@](=O)(OC[C@@H]5CNC[C@H](n6ccc(NC(=O)c7ccccc7)nc6=O)O5)N(C)C)C[C@H](n5cnc6c(NC(=O)c7ccccc7)ncnc65)O4)N(C)C)C[C@H](n4ccc(NC(=O)c5ccccc5)nc4=O)O3)N(C)C)C[C@@H](CO[P@@](=O)(N(C)C)N3C[C@@H](CO[P@@](=O)(N(C)C)N4C[C@@H](COC(=O)c5ccccc5)O[C@@H](n5ccc(NC(=O)c6ccccc6)nc5=O)C4)O[C@@H](n4ccc(NC(=O)c5ccccc5)nc4=O)C3)O2)c(=O)[nH]c1=O.

What is the InChIKey of [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl benzoate?

The InChIKey is MOJNRBWCLQWTTB-QUINAYNASA-N. The full InChI is InChI=1S/C108H129N30O29P5/c1-71-52-137(108(150)122-97(71)139)92-61-131(56-82(166-92)67-160-170(153,125(6)7)129-54-80(164-90(59-129)135-48-44-86(119-106(135)148)115-100(142)74-34-22-14-23-35-74)65-158-169(152,124(4)5)128-53-79(63-156-103(145)77-40-28-17-29-41-77)163-89(58-128)134-47-43-85(118-105(134)147)114-99(141)73-32-20-13-21-33-73)172(155,127(10)11)159-66-81-55-130(60-91(165-81)136-49-45-87(120-107(136)149)116-101(143)75-36-24-15-25-37-75)171(154,126(8)9)161-68-83-57-132(62-93(167-83)138-70-112-94-95(110-69-111-96(94)138)121-102(144)76-38-26-16-27-39-76)168(151,123(2)3)157-64-78-50-109-51-88(162-78)133-46-42-84(117-104(133)146)113-98(140)72-30-18-12-19-31-72/h12-49,52,69-70,78-83,88-93,109H,50-51,53-68H2,1-11H3,(H,122,139,150)(H,110,111,121,144)(H,113,117,140,146)(H,114,118,141,147)(H,115,119,142,148)(H,116,120,143,149)/t78-,79-,80-,81-,82-,83-,88+,89+,90+,91+,92+,93+,168-,169-,170-,171-,172-/m0/s1.

What are the key properties of [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl benzoate?

[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl benzoate has a molecular weight of 2466.27 g/mol, XLogP of 7.75, 44 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl benzoate is sourced from PubChem (CID 171544486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).