ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methyl-3,6-dihydropurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-oxo-2-phenylmethoxyethoxy)phosphoryl]amino]acetate;ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-2-phenylacetate;methyl (2S)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-methoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate;propan-2-yl (2R)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate

C102H150N20O44P4 — CID 160564272

About ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methyl-3,6-dihydropurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-oxo-2-phenylmethoxyethoxy)phosphoryl]amino]acetate;ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-2-phenylacetate;methyl (2S)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-methoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate;propan-2-yl (2R)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate

ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methyl-3,6-dihydropurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-oxo-2-phenylmethoxyethoxy)phosphoryl]amino]acetate;ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-2-phenylacetate;methyl (2S)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-methoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate;propan-2-yl (2R)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate (PubChem CID 160564272) has the molecular formula C102H150N20O44P4 and a molecular weight of 2484.31 g/mol. Its IUPAC name is ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methyl-3,6-dihydropurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-oxo-2-phenylmethoxyethoxy)phosphoryl]amino]acetate;ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-2-phenylacetate;methyl (2S)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-methoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate;propan-2-yl (2R)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate.

Molecular Properties

• Compound Name: ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methyl-3,6-dihydropurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-oxo-2-phenylmethoxyethoxy)phosphoryl]amino]acetate;ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-2-phenylacetate;methyl (2S)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-methoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate;propan-2-yl (2R)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate
• PubChem CID: 160564272
• Molecular Formula: C102H150N20O44P4
• Molecular Weight: 2484.31 g/mol
• Exact Mass: 2482.91
• IUPAC Name: ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methyl-3,6-dihydropurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-oxo-2-phenylmethoxyethoxy)phosphoryl]amino]acetate;ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-2-phenylacetate;methyl (2S)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-methoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate;propan-2-yl (2R)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate
• SMILES: CCOC(=O)CNP(=O)(OCC(=O)OCc1ccccc1)OC[C@H]1O[C@@H](n2cnc3c2NC(C)=NC3OC)[C@@](C)(O)C1O.CCOC(=O)COP(=O)(NC(C(=O)OCC)c1ccccc1)OC[C@H]1O[C@@H](n2cnc3c(OC)nc(C)nc32)[C@@](C)(O)C1O.CCOC(=O)COP(=O)(N[C@H](CC(C)C)C(=O)OC(C)C)OC[C@H]1O[C@@H](n2cnc3c(OC)nc(C)nc32)[C@@](C)(O)C1O.COC(=O)COP(=O)(N[C@@H](CC(C)C)C(=O)OC)OC[C@H]1O[C@@H](n2cnc3c(OC)nc(C)nc32)[C@@](C)(O)C1O
• InChI: InChI=1S/C27H36N5O11P.C26H36N5O11P.C26H42N5O11P.C23H36N5O11P/c1-6-39-19(33)14-42-44(37,31-20(25(35)40-7-2)17-11-9-8-10-12-17)41-13-18-22(34)27(4,36)26(43-18)32-15-28-21-23(32)29-16(3)30-24(21)38-5;1-5-38-19(32)11-28-43(36,41-14-20(33)39-12-17-9-7-6-8-10-17)40-13-18-22(34)26(3,35)25(42-18)31-15-27-21-23(31)29-16(2)30-24(21)37-4;1-9-38-19(32)12-40-43(36,30-17(10-14(2)3)24(34)41-15(4)5)39-11-18-21(33)26(7,35)25(42-18)31-13-27-20-22(31)28-16(6)29-23(20)37-8;1-12(2)8-14(21(31)36-7)27-40(33,38-10-16(29)34-5)37-9-15-18(30)23(4,32)22(39-15)28-11-24-17-19(28)25-13(3)26-20(17)35-6/h8-12,15,18,20,22,26,34,36H,6-7,13-14H2,1-5H3,(H,31,37);6-10,15,18,22,24-25,34-35H,5,11-14H2,1-4H3,(H,28,36)(H,29,30);13-15,17-18,21,25,33,35H,9-12H2,1-8H3,(H,30,36);11-12,14-15,18,22,30,32H,8-10H2,1-7H3,(H,27,33)/t18-,20?,22?,26-,27+,44?;18-,22?,24?,25-,26+,43?;17-,18-,21?,25-,26+,43?;14-,15+,18?,22+,23-,40?/m1110/s1
• InChIKey: QZSIUIUVVYQKLZ-GNSUAIFDSA-N
• XLogP: 5.63
• TPSA: 809.33 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 60
• Rotatable Bonds: 56
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2484.31
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	60

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methyl-3,6-dihydropurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-oxo-2-phenylmethoxyethoxy)phosphoryl]amino]acetate;ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-2-phenylacetate;methyl (2S)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-methoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate;propan-2-yl (2R)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate?

The IUPAC name of ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methyl-3,6-dihydropurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-oxo-2-phenylmethoxyethoxy)phosphoryl]amino]acetate;ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-2-phenylacetate;methyl (2S)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-methoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate;propan-2-yl (2R)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate (CID 160564272) is ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methyl-3,6-dihydropurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-oxo-2-phenylmethoxyethoxy)phosphoryl]amino]acetate;ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-2-phenylacetate;methyl (2S)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-methoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate;propan-2-yl (2R)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate.

What is the SMILES notation for ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methyl-3,6-dihydropurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-oxo-2-phenylmethoxyethoxy)phosphoryl]amino]acetate;ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-2-phenylacetate;methyl (2S)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-methoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate;propan-2-yl (2R)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate?

The canonical SMILES for ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methyl-3,6-dihydropurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-oxo-2-phenylmethoxyethoxy)phosphoryl]amino]acetate;ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-2-phenylacetate;methyl (2S)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-methoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate;propan-2-yl (2R)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate is CCOC(=O)CNP(=O)(OCC(=O)OCc1ccccc1)OC[C@H]1O[C@@H](n2cnc3c2NC(C)=NC3OC)[C@@](C)(O)C1O.CCOC(=O)COP(=O)(NC(C(=O)OCC)c1ccccc1)OC[C@H]1O[C@@H](n2cnc3c(OC)nc(C)nc32)[C@@](C)(O)C1O.CCOC(=O)COP(=O)(N[C@H](CC(C)C)C(=O)OC(C)C)OC[C@H]1O[C@@H](n2cnc3c(OC)nc(C)nc32)[C@@](C)(O)C1O.COC(=O)COP(=O)(N[C@@H](CC(C)C)C(=O)OC)OC[C@H]1O[C@@H](n2cnc3c(OC)nc(C)nc32)[C@@](C)(O)C1O.

What is the InChIKey of ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methyl-3,6-dihydropurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-oxo-2-phenylmethoxyethoxy)phosphoryl]amino]acetate;ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-2-phenylacetate;methyl (2S)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-methoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate;propan-2-yl (2R)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate?

The InChIKey is QZSIUIUVVYQKLZ-GNSUAIFDSA-N. The full InChI is InChI=1S/C27H36N5O11P.C26H36N5O11P.C26H42N5O11P.C23H36N5O11P/c1-6-39-19(33)14-42-44(37,31-20(25(35)40-7-2)17-11-9-8-10-12-17)41-13-18-22(34)27(4,36)26(43-18)32-15-28-21-23(32)29-16(3)30-24(21)38-5;1-5-38-19(32)11-28-43(36,41-14-20(33)39-12-17-9-7-6-8-10-17)40-13-18-22(34)26(3,35)25(42-18)31-15-27-21-23(31)29-16(2)30-24(21)37-4;1-9-38-19(32)12-40-43(36,30-17(10-14(2)3)24(34)41-15(4)5)39-11-18-21(33)26(7,35)25(42-18)31-13-27-20-22(31)28-16(6)29-23(20)37-8;1-12(2)8-14(21(31)36-7)27-40(33,38-10-16(29)34-5)37-9-15-18(30)23(4,32)22(39-15)28-11-24-17-19(28)25-13(3)26-20(17)35-6/h8-12,15,18,20,22,26,34,36H,6-7,13-14H2,1-5H3,(H,31,37);6-10,15,18,22,24-25,34-35H,5,11-14H2,1-4H3,(H,28,36)(H,29,30);13-15,17-18,21,25,33,35H,9-12H2,1-8H3,(H,30,36);11-12,14-15,18,22,30,32H,8-10H2,1-7H3,(H,27,33)/t18-,20?,22?,26-,27+,44?;18-,22?,24?,25-,26+,43?;17-,18-,21?,25-,26+,43?;14-,15+,18?,22+,23-,40?/m1110/s1.

What are the key properties of ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methyl-3,6-dihydropurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-oxo-2-phenylmethoxyethoxy)phosphoryl]amino]acetate;ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-2-phenylacetate;methyl (2S)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-methoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate;propan-2-yl (2R)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate?

ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methyl-3,6-dihydropurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-oxo-2-phenylmethoxyethoxy)phosphoryl]amino]acetate;ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-2-phenylacetate;methyl (2S)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-methoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate;propan-2-yl (2R)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate has a molecular weight of 2484.31 g/mol, XLogP of 5.63, 56 rotatable bonds, 13 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methyl-3,6-dihydropurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-oxo-2-phenylmethoxyethoxy)phosphoryl]amino]acetate;ethyl 2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-2-phenylacetate;methyl (2S)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-methoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate;propan-2-yl (2R)-2-[[[(2R,4S,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate is sourced from PubChem (CID 160564272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).