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

C62H100N31O19P5 — CID 137245047

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

2-amino-9-[(2R,6S)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-yl]-1H-purin-6-one (PubChem CID 137245047) has the molecular formula C62H100N31O19P5 and a molecular weight of 1738.55 g/mol. Its IUPAC name is 2-amino-9-[(2R,6S)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-yl]-1H-purin-6-one.

Molecular Properties

• Compound Name: 2-amino-9-[(2R,6S)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-yl]-1H-purin-6-one
• PubChem CID: 137245047
• Molecular Formula: C62H100N31O19P5
• Molecular Weight: 1738.55 g/mol
• Exact Mass: 1737.65
• IUPAC Name: 2-amino-9-[(2R,6S)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-yl]-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(C)(=O)N(C)C)O[C@@H](n6cnc7c(=O)[nH]c(N)nc76)C5)O[C@@H](n5ccc(N)nc5=O)C4)O[C@@H](n4cnc5c(N)ncnc54)C3)O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C2)O[C@@H](n2ccc(N)nc2=O)C1
• InChI: InChI=1S/C62H100N31O19P5/c1-37(2)84-18-38(108-45(23-84)89-16-14-43(63)73-61(89)96)29-104-115(100,81(7)8)88-22-42(112-49(27-88)93-36-72-52-56(93)76-60(67)78-58(52)95)32-107-117(102,83(11)12)87-21-41(111-47(25-87)91-34-70-50-53(65)68-33-69-54(50)91)31-106-114(99,80(5)6)85-20-40(109-46(24-85)90-17-15-44(64)74-62(90)97)30-105-116(101,82(9)10)86-19-39(28-103-113(13,98)79(3)4)110-48(26-86)92-35-71-51-55(92)75-59(66)77-57(51)94/h14-17,33-42,45-49H,18-32H2,1-13H3,(H2,63,73,96)(H2,64,74,97)(H2,65,68,69)(H3,66,75,77,94)(H3,67,76,78,95)/t38-,39-,40-,41-,42-,45+,46+,47+,48+,49+,113?,114?,115?,116?,117?/m0/s1
• InChIKey: KVSWWZOYIPSBSO-IIHWWLIPSA-N
• XLogP: 0.07
• TPSA: 580.67 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 30
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1738.55
LogP ≤ 5	0.07
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-amino-9-[(2R,6S)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-yl]-1H-purin-6-one (CID 137245047) is 2-amino-9-[(2R,6S)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-yl]-1H-purin-6-one.

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

The canonical SMILES for 2-amino-9-[(2R,6S)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-yl]-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(C)(=O)N(C)C)O[C@@H](n6cnc7c(=O)[nH]c(N)nc76)C5)O[C@@H](n5ccc(N)nc5=O)C4)O[C@@H](n4cnc5c(N)ncnc54)C3)O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C2)O[C@@H](n2ccc(N)nc2=O)C1.

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

The InChIKey is KVSWWZOYIPSBSO-IIHWWLIPSA-N. The full InChI is InChI=1S/C62H100N31O19P5/c1-37(2)84-18-38(108-45(23-84)89-16-14-43(63)73-61(89)96)29-104-115(100,81(7)8)88-22-42(112-49(27-88)93-36-72-52-56(93)76-60(67)78-58(52)95)32-107-117(102,83(11)12)87-21-41(111-47(25-87)91-34-70-50-53(65)68-33-69-54(50)91)31-106-114(99,80(5)6)85-20-40(109-46(24-85)90-17-15-44(64)74-62(90)97)30-105-116(101,82(9)10)86-19-39(28-103-113(13,98)79(3)4)110-48(26-86)92-35-71-51-55(92)75-59(66)77-57(51)94/h14-17,33-42,45-49H,18-32H2,1-13H3,(H2,63,73,96)(H2,64,74,97)(H2,65,68,69)(H3,66,75,77,94)(H3,67,76,78,95)/t38-,39-,40-,41-,42-,45+,46+,47+,48+,49+,113?,114?,115?,116?,117?/m0/s1.

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

2-amino-9-[(2R,6S)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-yl]-1H-purin-6-one has a molecular weight of 1738.55 g/mol, XLogP of 0.07, 30 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-[(2R,6S)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-yl]-1H-purin-6-one is sourced from PubChem (CID 137245047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).