[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-[[[(2R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate;[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,5R)-5-(2-methyl-6-oxo-1H-purin-9-yl)-3-phenylmethoxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] acetate

C71H91N24O29P3 — CID 162195559

About [(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-[[[(2R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate;[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,5R)-5-(2-methyl-6-oxo-1H-purin-9-yl)-3-phenylmethoxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] acetate

[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-[[[(2R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate;[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,5R)-5-(2-methyl-6-oxo-1H-purin-9-yl)-3-phenylmethoxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] acetate (PubChem CID 162195559) has the molecular formula C71H91N24O29P3 and a molecular weight of 1837.57 g/mol. Its IUPAC name is [(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-[[[(2R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate;[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,5R)-5-(2-methyl-6-oxo-1H-purin-9-yl)-3-phenylmethoxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] acetate.

Molecular Properties

• Compound Name: [(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-[[[(2R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate;[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,5R)-5-(2-methyl-6-oxo-1H-purin-9-yl)-3-phenylmethoxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] acetate
• PubChem CID: 162195559
• Molecular Formula: C71H91N24O29P3
• Molecular Weight: 1837.57 g/mol
• Exact Mass: 1836.56
• IUPAC Name: [(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-[[[(2R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate;[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,5R)-5-(2-methyl-6-oxo-1H-purin-9-yl)-3-phenylmethoxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] acetate
• SMILES: CC[C@H]1O[C@@H](n2cnc(N)nc2=O)CC1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)CC1OC(C)=O.CC[C@H]1O[C@@H](n2cnc(N)nc2=O)CC1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)CC1OCc1ccccc1.CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)CC1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc(N)nc2=O)CC1OC(C)=O
• InChI: InChI=1S/C27H33N8O9P.2C22H29N8O10P/c1-3-17-19(10-22(42-17)35-14-30-26(28)33-27(35)37)44-45(38,39)41-12-20-18(40-11-16-7-5-4-6-8-16)9-21(43-20)34-13-29-23-24(34)31-15(2)32-25(23)36;1-4-12-14(6-16(38-12)29-8-24-18-19(29)26-10(2)27-20(18)32)40-41(34,35)36-7-15-13(37-11(3)31)5-17(39-15)30-9-25-21(23)28-22(30)33;1-4-12-14(6-17(38-12)30-9-25-21(23)28-22(30)33)40-41(34,35)36-7-15-13(37-11(3)31)5-16(39-15)29-8-24-18-19(29)26-10(2)27-20(18)32/h4-8,13-14,17-22H,3,9-12H2,1-2H3,(H,38,39)(H2,28,33,37)(H,31,32,36);2*8-9,12-17H,4-7H2,1-3H3,(H,34,35)(H2,23,28,33)(H,26,27,32)/t17-,18?,19?,20-,21-,22-;2*12-,13?,14?,15-,16-,17-/m111/s1
• InChIKey: ZQWSERPQPCSEIC-RNRYOWQBSA-N
• XLogP: 1.90
• TPSA: 696.60 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 47
• Rotatable Bonds: 29
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1837.57
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-[[[(2R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate;[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,5R)-5-(2-methyl-6-oxo-1H-purin-9-yl)-3-phenylmethoxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] acetate?

The IUPAC name of [(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-[[[(2R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate;[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,5R)-5-(2-methyl-6-oxo-1H-purin-9-yl)-3-phenylmethoxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] acetate (CID 162195559) is [(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-[[[(2R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate;[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,5R)-5-(2-methyl-6-oxo-1H-purin-9-yl)-3-phenylmethoxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] acetate.

What is the SMILES notation for [(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-[[[(2R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate;[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,5R)-5-(2-methyl-6-oxo-1H-purin-9-yl)-3-phenylmethoxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] acetate?

The canonical SMILES for [(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-[[[(2R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate;[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,5R)-5-(2-methyl-6-oxo-1H-purin-9-yl)-3-phenylmethoxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] acetate is CC[C@H]1O[C@@H](n2cnc(N)nc2=O)CC1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)CC1OC(C)=O.CC[C@H]1O[C@@H](n2cnc(N)nc2=O)CC1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)CC1OCc1ccccc1.CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)CC1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc(N)nc2=O)CC1OC(C)=O.

What is the InChIKey of [(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-[[[(2R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate;[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,5R)-5-(2-methyl-6-oxo-1H-purin-9-yl)-3-phenylmethoxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] acetate?

The InChIKey is ZQWSERPQPCSEIC-RNRYOWQBSA-N. The full InChI is InChI=1S/C27H33N8O9P.2C22H29N8O10P/c1-3-17-19(10-22(42-17)35-14-30-26(28)33-27(35)37)44-45(38,39)41-12-20-18(40-11-16-7-5-4-6-8-16)9-21(43-20)34-13-29-23-24(34)31-15(2)32-25(23)36;1-4-12-14(6-16(38-12)29-8-24-18-19(29)26-10(2)27-20(18)32)40-41(34,35)36-7-15-13(37-11(3)31)5-17(39-15)30-9-25-21(23)28-22(30)33;1-4-12-14(6-17(38-12)30-9-25-21(23)28-22(30)33)40-41(34,35)36-7-15-13(37-11(3)31)5-16(39-15)29-8-24-18-19(29)26-10(2)27-20(18)32/h4-8,13-14,17-22H,3,9-12H2,1-2H3,(H,38,39)(H2,28,33,37)(H,31,32,36);2*8-9,12-17H,4-7H2,1-3H3,(H,34,35)(H2,23,28,33)(H,26,27,32)/t17-,18?,19?,20-,21-,22-;2*12-,13?,14?,15-,16-,17-/m111/s1.

What are the key properties of [(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-[[[(2R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate;[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,5R)-5-(2-methyl-6-oxo-1H-purin-9-yl)-3-phenylmethoxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] acetate?

[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-[[[(2R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate;[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,5R)-5-(2-methyl-6-oxo-1H-purin-9-yl)-3-phenylmethoxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] acetate has a molecular weight of 1837.57 g/mol, XLogP of 1.90, 29 rotatable bonds, 9 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-[[[(2R,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate;[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,5R)-5-(2-methyl-6-oxo-1H-purin-9-yl)-3-phenylmethoxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,5R)-2-[[[(2R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl] acetate is sourced from PubChem (CID 162195559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).