1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione — IUPAC name, SMILES, InChIKey & properties

Name: 1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 165014187) has the molecular formula C68H94N20O19P4Si and a molecular weight of 1647.60 g/mol. Its IUPAC name is 1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name	1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID	165014187
Molecular Formula	C68H94N20O19P4Si
Molecular Weight	1647.60 g/mol
Exact Mass	1646.57
IUPAC Name	1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
SMILES	Cc1cn([C@H]2CNCC(CO[P@](C)(=O)N3C[C@@H](CO[P@](C)(=O)N4C[C@@H](CO[P@](C)(=O)N5C[C@@H](CO[P@](C)(=O)C6C[C@@H](CO[Si](c7ccccc7)(c7ccccc7)C(C)(C)C)O[C@@H](n7cnc8c(N)ncnc87)C6)O[C@@H](n6ccc(N)nc6=O)C5)O[C@@H](n5ccc(N)nc5=O)C4)O[C@@H](n4ccc(N)nc4=O)C3)O2)c(=O)[nH]c1=O
InChI	InChI=1S/C68H94N20O19P4Si/c1-43-29-87(67(93)80-63(43)89)56-28-73-27-45(104-56)36-99-109(6,95)82-31-47(106-58(34-82)85-23-20-53(70)78-65(85)91)38-101-111(8,97)83-32-48(107-59(35-83)86-24-21-54(71)79-66(86)92)39-100-110(7,96)81-30-46(105-57(33-81)84-22-19-52(69)77-64(84)90)37-98-108(5,94)49-25-44(103-55(26-49)88-42-76-60-61(72)74-41-75-62(60)88)40-102-112(68(2,3)4,50-15-11-9-12-16-50)51-17-13-10-14-18-51/h9-24,29,41-42,44-49,55-59,73H,25-28,30-40H2,1-8H3,(H2,69,77,90)(H2,70,78,91)(H2,71,79,92)(H2,72,74,75)(H,80,89,93)/t44-,45?,46-,47-,48-,49?,55+,56+,57+,58+,59+,108-,109-,110-,111-/m0/s1
InChIKey	AOPJPWWEEFPVAZ-UYDBNZSDSA-N
XLogP	2.94
TPSA	489.54 Å²
H-Bond Donors	6
H-Bond Acceptors	35
Rotatable Bonds	26
Heavy Atoms	112
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1647.60
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Analyze 1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

The IUPAC name of 1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione (CID 165014187) is 1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2CNCC(CO[P@](C)(=O)N3C[C@@H](CO[P@](C)(=O)N4C[C@@H](CO[P@](C)(=O)N5C[C@@H](CO[P@](C)(=O)C6C[C@@H](CO[Si](c7ccccc7)(c7ccccc7)C(C)(C)C)O[C@@H](n7cnc8c(N)ncnc87)C6)O[C@@H](n6ccc(N)nc6=O)C5)O[C@@H](n5ccc(N)nc5=O)C4)O[C@@H](n4ccc(N)nc4=O)C3)O2)c(=O)[nH]c1=O.

What is the InChIKey of 1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

The InChIKey is AOPJPWWEEFPVAZ-UYDBNZSDSA-N. The full InChI is InChI=1S/C68H94N20O19P4Si/c1-43-29-87(67(93)80-63(43)89)56-28-73-27-45(104-56)36-99-109(6,95)82-31-47(106-58(34-82)85-23-20-53(70)78-65(85)91)38-101-111(8,97)83-32-48(107-59(35-83)86-24-21-54(71)79-66(86)92)39-100-110(7,96)81-30-46(105-57(33-81)84-22-19-52(69)77-64(84)90)37-98-108(5,94)49-25-44(103-55(26-49)88-42-76-60-61(72)74-41-75-62(60)88)40-102-112(68(2,3)4,50-15-11-9-12-16-50)51-17-13-10-14-18-51/h9-24,29,41-42,44-49,55-59,73H,25-28,30-40H2,1-8H3,(H2,69,77,90)(H2,70,78,91)(H2,71,79,92)(H2,72,74,75)(H,80,89,93)/t44-,45?,46-,47-,48-,49?,55+,56+,57+,58+,59+,108-,109-,110-,111-/m0/s1.

What are the key properties of 1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

Where does this data come from?

All data for 1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 165014187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).