1-[(2R,6S)-6-[[[(2S,6R)-2-[[[(2R,6S)-2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-6-[[[(2R)-2-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione

C70H111N34O20P5 — CID 177084870

About 1-[(2R,6S)-6-[[[(2S,6R)-2-[[[(2R,6S)-2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-6-[[[(2R)-2-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,6S)-6-[[[(2S,6R)-2-[[[(2R,6S)-2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-6-[[[(2R)-2-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 177084870) has the molecular formula C70H111N34O20P5 and a molecular weight of 1903.75 g/mol. Its IUPAC name is 1-[(2R,6S)-6-[[[(2S,6R)-2-[[[(2R,6S)-2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-6-[[[(2R)-2-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R,6S)-6-[[[(2S,6R)-2-[[[(2R,6S)-2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-6-[[[(2R)-2-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
• PubChem CID: 177084870
• Molecular Formula: C70H111N34O20P5
• Molecular Weight: 1903.75 g/mol
• Exact Mass: 1902.74
• IUPAC Name: 1-[(2R,6S)-6-[[[(2S,6R)-2-[[[(2R,6S)-2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-6-[[[(2R)-2-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
• SMILES: Cc1cn([C@H]2CN(P(=O)(OC[C@@H]3CN(P(=O)(OC[C@@H]4CN(C(C)C)C[C@H](n5cnc6c(N)ncnc65)O4)N(C)C)C[C@H](n4ccc(N)nc4=O)O3)N(C)C)C[C@@H](COP(=O)(N(C)C)N3C[C@@H](COP(=O)(N(C)C)N4C[C@@H](COP(=O)(N(C)C)N5CCO[C@@H](n6cnc7c(N)ncnc76)C5)O[C@@H](N5C=CC(N)NC5=O)C4)O[C@@H](n4cnc5c(N)ncnc54)C3)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/C70H111N34O20P5/c1-43(2)93-21-45(120-53(26-93)103-41-83-59-62(74)77-38-80-65(59)103)32-116-126(110,89(6)7)95-23-47(122-55(28-95)100-17-15-51(72)86-69(100)107)34-117-128(112,91(10)11)97-24-48(123-56(30-97)101-20-44(3)67(105)87-70(101)108)35-118-129(113,92(12)13)98-25-49(124-57(31-98)104-42-84-60-63(75)78-39-81-66(60)104)36-119-127(111,90(8)9)96-22-46(121-54(29-96)99-16-14-50(71)85-68(99)106)33-115-125(109,88(4)5)94-18-19-114-52(27-94)102-40-82-58-61(73)76-37-79-64(58)102/h14-17,20,37-43,45-50,52-57H,18-19,21-36,71H2,1-13H3,(H,85,106)(H2,72,86,107)(H2,73,76,79)(H2,74,77,80)(H2,75,78,81)(H,87,105,108)/t45-,46-,47-,48-,49-,50?,52+,53+,54+,55+,56+,57+,125?,126?,127?,128?,129?/m0/s1
• InChIKey: XDQBLDKQTRAEBW-LDIXYIDNSA-N
• XLogP: 0.27
• TPSA: 605.51 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 32
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1903.75
LogP ≤ 5	0.27
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-6-[[[(2S,6R)-2-[[[(2R,6S)-2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-6-[[[(2R)-2-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

The IUPAC name of 1-[(2R,6S)-6-[[[(2S,6R)-2-[[[(2R,6S)-2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-6-[[[(2R)-2-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione (CID 177084870) is 1-[(2R,6S)-6-[[[(2S,6R)-2-[[[(2R,6S)-2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-6-[[[(2R)-2-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R,6S)-6-[[[(2S,6R)-2-[[[(2R,6S)-2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-6-[[[(2R)-2-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R,6S)-6-[[[(2S,6R)-2-[[[(2R,6S)-2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-6-[[[(2R)-2-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2CN(P(=O)(OC[C@@H]3CN(P(=O)(OC[C@@H]4CN(C(C)C)C[C@H](n5cnc6c(N)ncnc65)O4)N(C)C)C[C@H](n4ccc(N)nc4=O)O3)N(C)C)C[C@@H](COP(=O)(N(C)C)N3C[C@@H](COP(=O)(N(C)C)N4C[C@@H](COP(=O)(N(C)C)N5CCO[C@@H](n6cnc7c(N)ncnc76)C5)O[C@@H](N5C=CC(N)NC5=O)C4)O[C@@H](n4cnc5c(N)ncnc54)C3)O2)c(=O)[nH]c1=O.

What is the InChIKey of 1-[(2R,6S)-6-[[[(2S,6R)-2-[[[(2R,6S)-2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-6-[[[(2R)-2-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

The InChIKey is XDQBLDKQTRAEBW-LDIXYIDNSA-N. The full InChI is InChI=1S/C70H111N34O20P5/c1-43(2)93-21-45(120-53(26-93)103-41-83-59-62(74)77-38-80-65(59)103)32-116-126(110,89(6)7)95-23-47(122-55(28-95)100-17-15-51(72)86-69(100)107)34-117-128(112,91(10)11)97-24-48(123-56(30-97)101-20-44(3)67(105)87-70(101)108)35-118-129(113,92(12)13)98-25-49(124-57(31-98)104-42-84-60-63(75)78-39-81-66(60)104)36-119-127(111,90(8)9)96-22-46(121-54(29-96)99-16-14-50(71)85-68(99)106)33-115-125(109,88(4)5)94-18-19-114-52(27-94)102-40-82-58-61(73)76-37-79-64(58)102/h14-17,20,37-43,45-50,52-57H,18-19,21-36,71H2,1-13H3,(H,85,106)(H2,72,86,107)(H2,73,76,79)(H2,74,77,80)(H2,75,78,81)(H,87,105,108)/t45-,46-,47-,48-,49-,50?,52+,53+,54+,55+,56+,57+,125?,126?,127?,128?,129?/m0/s1.

What are the key properties of 1-[(2R,6S)-6-[[[(2S,6R)-2-[[[(2R,6S)-2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-6-[[[(2R)-2-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

1-[(2R,6S)-6-[[[(2S,6R)-2-[[[(2R,6S)-2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-6-[[[(2R)-2-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 1903.75 g/mol, XLogP of 0.27, 32 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,6S)-6-[[[(2S,6R)-2-[[[(2R,6S)-2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-6-[[[(2R)-2-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 177084870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).