2-amino-9-[[(2S,6S)-6-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[[(2S,6R)-2-[[[(2S,6R)-2-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-[[(2S,6R)-6-[(6-aminopurin-9-yl)methyl]-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl]-1H-purin-6-one

C92H144N49O24P7 — CID 139503882

About 2-amino-9-[[(2S,6S)-6-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[[(2S,6R)-2-[[[(2S,6R)-2-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-[[(2S,6R)-6-[(6-aminopurin-9-yl)methyl]-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl]-1H-purin-6-one

2-amino-9-[[(2S,6S)-6-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[[(2S,6R)-2-[[[(2S,6R)-2-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-[[(2S,6R)-6-[(6-aminopurin-9-yl)methyl]-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl]-1H-purin-6-one (PubChem CID 139503882) has the molecular formula C92H144N49O24P7 and a molecular weight of 2537.30 g/mol. Its IUPAC name is 2-amino-9-[[(2S,6S)-6-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[[(2S,6R)-2-[[[(2S,6R)-2-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-[[(2S,6R)-6-[(6-aminopurin-9-yl)methyl]-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl]-1H-purin-6-one.

Molecular Properties

• Compound Name: 2-amino-9-[[(2S,6S)-6-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[[(2S,6R)-2-[[[(2S,6R)-2-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-[[(2S,6R)-6-[(6-aminopurin-9-yl)methyl]-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl]-1H-purin-6-one
• PubChem CID: 139503882
• Molecular Formula: C92H144N49O24P7
• Molecular Weight: 2537.30 g/mol
• Exact Mass: 2535.97
• IUPAC Name: 2-amino-9-[[(2S,6S)-6-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[[(2S,6R)-2-[[[(2S,6R)-2-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-[[(2S,6R)-6-[(6-aminopurin-9-yl)methyl]-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl]-1H-purin-6-one
• SMILES: CC(C)N1C[C@@H](COP(=O)(N(C)C)N2C[C@@H](COP(=O)(N(C)C)N3C[C@@H](COP(=O)(N(C)C)N4C[C@@H](COP(=O)(N(C)C)N5C[C@@H](COP(=O)(N(C)C)N6C[C@@H](COP(=O)(N(C)C)N7C[C@@H](COP(=O)(C(C)C)N(C)C)O[C@@H](n8cnc9c(=O)[nH]c(N)nc98)C7)O[C@@H](n7cnc8c(N)ncnc87)C6)O[C@@H](n6cnc7c(N)ncnc76)C5)O[C@@H](n5cnc6c(=O)[nH]c(N)nc65)C4)O[C@@H](Cn4cnc5c(=O)[nH]c(N)nc54)C3)O[C@@H](n3cnc4c(N)ncnc43)C2)O[C@@H](Cn2cnc3c(N)ncnc32)C1
• InChI: InChI=1S/C92H144N49O24P7/c1-53(2)128-19-55(20-129-46-108-69-76(93)100-42-104-80(69)129)159-57(22-128)36-153-168(147,123(9)10)133-26-60(162-64(30-133)137-48-110-70-77(94)101-43-105-81(70)137)38-155-167(146,122(7)8)131-23-56(21-130-47-109-73-84(130)115-90(97)118-87(73)142)160-58(24-131)37-154-169(148,124(11)12)136-29-63(165-68(34-136)141-52-114-75-86(141)117-92(99)120-89(75)144)41-158-172(151,127(17)18)135-28-62(164-66(32-135)139-50-112-72-79(96)103-45-107-83(72)139)40-157-171(150,126(15)16)134-27-61(163-65(31-134)138-49-111-71-78(95)102-44-106-82(71)138)39-156-170(149,125(13)14)132-25-59(35-152-166(145,54(3)4)121(5)6)161-67(33-132)140-51-113-74-85(140)116-91(98)119-88(74)143/h42-68H,19-41H2,1-18H3,(H2,93,100,104)(H2,94,101,105)(H2,95,102,106)(H2,96,103,107)(H3,97,115,118,142)(H3,98,116,119,143)(H3,99,117,120,144)/t55-,56+,57+,58+,59+,60+,61+,62+,63+,64-,65-,66-,67-,68-,166?,167?,168?,169?,170?,171?,172?/m1/s1
• InChIKey: BUBGNIFSKUFLEQ-WODVWEAISA-N
• XLogP: 1.66
• TPSA: 841.32 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 57
• Rotatable Bonds: 45
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2537.30
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	57

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[[(2S,6S)-6-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[[(2S,6R)-2-[[[(2S,6R)-2-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-[[(2S,6R)-6-[(6-aminopurin-9-yl)methyl]-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl]-1H-purin-6-one?

The IUPAC name of 2-amino-9-[[(2S,6S)-6-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[[(2S,6R)-2-[[[(2S,6R)-2-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-[[(2S,6R)-6-[(6-aminopurin-9-yl)methyl]-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl]-1H-purin-6-one (CID 139503882) is 2-amino-9-[[(2S,6S)-6-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[[(2S,6R)-2-[[[(2S,6R)-2-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-[[(2S,6R)-6-[(6-aminopurin-9-yl)methyl]-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl]-1H-purin-6-one.

What is the SMILES notation for 2-amino-9-[[(2S,6S)-6-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[[(2S,6R)-2-[[[(2S,6R)-2-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-[[(2S,6R)-6-[(6-aminopurin-9-yl)methyl]-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl]-1H-purin-6-one?

The canonical SMILES for 2-amino-9-[[(2S,6S)-6-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[[(2S,6R)-2-[[[(2S,6R)-2-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-[[(2S,6R)-6-[(6-aminopurin-9-yl)methyl]-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl]-1H-purin-6-one is CC(C)N1C[C@@H](COP(=O)(N(C)C)N2C[C@@H](COP(=O)(N(C)C)N3C[C@@H](COP(=O)(N(C)C)N4C[C@@H](COP(=O)(N(C)C)N5C[C@@H](COP(=O)(N(C)C)N6C[C@@H](COP(=O)(N(C)C)N7C[C@@H](COP(=O)(C(C)C)N(C)C)O[C@@H](n8cnc9c(=O)[nH]c(N)nc98)C7)O[C@@H](n7cnc8c(N)ncnc87)C6)O[C@@H](n6cnc7c(N)ncnc76)C5)O[C@@H](n5cnc6c(=O)[nH]c(N)nc65)C4)O[C@@H](Cn4cnc5c(=O)[nH]c(N)nc54)C3)O[C@@H](n3cnc4c(N)ncnc43)C2)O[C@@H](Cn2cnc3c(N)ncnc32)C1.

What is the InChIKey of 2-amino-9-[[(2S,6S)-6-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[[(2S,6R)-2-[[[(2S,6R)-2-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-[[(2S,6R)-6-[(6-aminopurin-9-yl)methyl]-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl]-1H-purin-6-one?

The InChIKey is BUBGNIFSKUFLEQ-WODVWEAISA-N. The full InChI is InChI=1S/C92H144N49O24P7/c1-53(2)128-19-55(20-129-46-108-69-76(93)100-42-104-80(69)129)159-57(22-128)36-153-168(147,123(9)10)133-26-60(162-64(30-133)137-48-110-70-77(94)101-43-105-81(70)137)38-155-167(146,122(7)8)131-23-56(21-130-47-109-73-84(130)115-90(97)118-87(73)142)160-58(24-131)37-154-169(148,124(11)12)136-29-63(165-68(34-136)141-52-114-75-86(141)117-92(99)120-89(75)144)41-158-172(151,127(17)18)135-28-62(164-66(32-135)139-50-112-72-79(96)103-45-107-83(72)139)40-157-171(150,126(15)16)134-27-61(163-65(31-134)138-49-111-71-78(95)102-44-106-82(71)138)39-156-170(149,125(13)14)132-25-59(35-152-166(145,54(3)4)121(5)6)161-67(33-132)140-51-113-74-85(140)116-91(98)119-88(74)143/h42-68H,19-41H2,1-18H3,(H2,93,100,104)(H2,94,101,105)(H2,95,102,106)(H2,96,103,107)(H3,97,115,118,142)(H3,98,116,119,143)(H3,99,117,120,144)/t55-,56+,57+,58+,59+,60+,61+,62+,63+,64-,65-,66-,67-,68-,166?,167?,168?,169?,170?,171?,172?/m1/s1.

What are the key properties of 2-amino-9-[[(2S,6S)-6-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[[(2S,6R)-2-[[[(2S,6R)-2-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-[[(2S,6R)-6-[(6-aminopurin-9-yl)methyl]-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl]-1H-purin-6-one?

2-amino-9-[[(2S,6S)-6-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[[(2S,6R)-2-[[[(2S,6R)-2-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-[[(2S,6R)-6-[(6-aminopurin-9-yl)methyl]-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl]-1H-purin-6-one has a molecular weight of 2537.30 g/mol, XLogP of 1.66, 45 rotatable bonds, 10 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-[[(2S,6S)-6-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[[(2S,6R)-2-[[[(2S,6R)-2-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-[[(2S,6R)-6-[(6-aminopurin-9-yl)methyl]-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl]-1H-purin-6-one is sourced from PubChem (CID 139503882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).