[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate

C57H74N24O37P6 — CID 136880554

About [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate

[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate (PubChem CID 136880554) has the molecular formula C57H74N24O37P6 and a molecular weight of 1873.19 g/mol. Its IUPAC name is [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate.

Molecular Properties

• Compound Name: [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate
• PubChem CID: 136880554
• Molecular Formula: C57H74N24O37P6
• Molecular Weight: 1873.19 g/mol
• Exact Mass: 1872.31
• IUPAC Name: [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate
• SMILES: Nc1nc2c(ncn2[C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)nc4N)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)nc4N)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)nc4N)C[C@@H]3OP(=O)(O)O)[C@@H](CO)O2)c(=O)[nH]1
• InChI: InChI=1S/C57H74N24O37P6/c58-52-70-46-43(49(86)73-52)64-19-79(46)40-7-22(28(13-82)107-40)114-120(92,93)103-17-32-26(11-41(111-32)80-20-65-44-47(80)71-53(59)74-50(44)87)118-124(100,101)106-18-33-27(12-42(112-33)81-21-66-45-48(81)72-54(60)75-51(45)88)117-123(98,99)105-16-31-25(10-39(110-31)78-6-3-36(85)69-57(78)63)116-122(96,97)104-15-30-24(9-38(109-30)77-5-2-35(84)68-56(77)62)115-121(94,95)102-14-29-23(113-119(89,90)91)8-37(108-29)76-4-1-34(83)67-55(76)61/h1-6,19-33,37-42,82H,7-18H2,(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H2,61,67,83)(H2,62,68,84)(H2,63,69,85)(H2,89,90,91)(H3,58,70,73,86)(H3,59,71,74,87)(H3,60,72,75,88)/t22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33+,37+,38+,39+,40+,41+,42+/m0/s1
• InChIKey: LCUJBJDHXMZEPF-IOAZRVAWSA-N
• XLogP: -3.64
• TPSA: 872.67 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 51
• Rotatable Bonds: 34
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1873.19
LogP ≤ 5	-3.64
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate?

The IUPAC name of [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate (CID 136880554) is [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate.

What is the SMILES notation for [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate?

The canonical SMILES for [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate is Nc1nc2c(ncn2[C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)nc4N)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)nc4N)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)nc4N)C[C@@H]3OP(=O)(O)O)[C@@H](CO)O2)c(=O)[nH]1.

What is the InChIKey of [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate?

The InChIKey is LCUJBJDHXMZEPF-IOAZRVAWSA-N. The full InChI is InChI=1S/C57H74N24O37P6/c58-52-70-46-43(49(86)73-52)64-19-79(46)40-7-22(28(13-82)107-40)114-120(92,93)103-17-32-26(11-41(111-32)80-20-65-44-47(80)71-53(59)74-50(44)87)118-124(100,101)106-18-33-27(12-42(112-33)81-21-66-45-48(81)72-54(60)75-51(45)88)117-123(98,99)105-16-31-25(10-39(110-31)78-6-3-36(85)69-57(78)63)116-122(96,97)104-15-30-24(9-38(109-30)77-5-2-35(84)68-56(77)62)115-121(94,95)102-14-29-23(113-119(89,90)91)8-37(108-29)76-4-1-34(83)67-55(76)61/h1-6,19-33,37-42,82H,7-18H2,(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H2,61,67,83)(H2,62,68,84)(H2,63,69,85)(H2,89,90,91)(H3,58,70,73,86)(H3,59,71,74,87)(H3,60,72,75,88)/t22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33+,37+,38+,39+,40+,41+,42+/m0/s1.

What are the key properties of [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate?

[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate has a molecular weight of 1873.19 g/mol, XLogP of -3.64, 34 rotatable bonds, 17 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2-amino-4-oxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate is sourced from PubChem (CID 136880554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).