2-amino-N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide;methane

C55H65N19O14 — CID 161273407

About 2-amino-N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide;methane

2-amino-N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide;methane (PubChem CID 161273407) has the molecular formula C55H65N19O14 and a molecular weight of 1216.24 g/mol. Its IUPAC name is 2-amino-N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide;methane.

Molecular Properties

• Compound Name: 2-amino-N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide;methane
• PubChem CID: 161273407
• Molecular Formula: C55H65N19O14
• Molecular Weight: 1216.24 g/mol
• Exact Mass: 1215.50
• IUPAC Name: 2-amino-N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide;methane
• SMILES: C.COc1cccc(C(=O)N[C@H]2C(O)[C@@H](CO)O[C@H]2n2cnc3c(N)ccnc32)c1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(O)[C@@H]1NC(=O)C(N)Cc1ccc(O)cc1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(O)[C@@H]1NC(=O)c1cccnc1
• InChI: InChI=1S/C19H23N7O5.C19H21N5O5.C16H17N7O4.CH4/c20-11(5-9-1-3-10(28)4-2-9)18(30)25-13-15(29)12(6-27)31-19(13)26-8-24-14-16(21)22-7-23-17(14)26;1-28-11-4-2-3-10(7-11)18(27)23-15-16(26)13(8-25)29-19(15)24-9-22-14-12(20)5-6-21-17(14)24;17-13-11-14(20-6-19-13)23(7-21-11)16-10(12(25)9(5-24)27-16)22-15(26)8-2-1-3-18-4-8;/h1-4,7-8,11-13,15,19,27-29H,5-6,20H2,(H,25,30)(H2,21,22,23);2-7,9,13,15-16,19,25-26H,8H2,1H3,(H2,20,21)(H,23,27);1-4,6-7,9-10,12,16,24-25H,5H2,(H,22,26)(H2,17,19,20);1H4/t11?,12-,13+,15?,19-;13-,15+,16?,19-;9-,10+,12?,16-;/m111./s1
• InChIKey: VECUKSSMRDCXRO-SWBAMZBDSA-N
• XLogP: -2.02
• TPSA: 500.71 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1216.24
LogP ≤ 5	-2.02
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide;methane?

The IUPAC name of 2-amino-N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide;methane (CID 161273407) is 2-amino-N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide;methane.

What is the SMILES notation for 2-amino-N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide;methane?

The canonical SMILES for 2-amino-N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide;methane is C.COc1cccc(C(=O)N[C@H]2C(O)[C@@H](CO)O[C@H]2n2cnc3c(N)ccnc32)c1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(O)[C@@H]1NC(=O)C(N)Cc1ccc(O)cc1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(O)[C@@H]1NC(=O)c1cccnc1.

What is the InChIKey of 2-amino-N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide;methane?

The InChIKey is VECUKSSMRDCXRO-SWBAMZBDSA-N. The full InChI is InChI=1S/C19H23N7O5.C19H21N5O5.C16H17N7O4.CH4/c20-11(5-9-1-3-10(28)4-2-9)18(30)25-13-15(29)12(6-27)31-19(13)26-8-24-14-16(21)22-7-23-17(14)26;1-28-11-4-2-3-10(7-11)18(27)23-15-16(26)13(8-25)29-19(15)24-9-22-14-12(20)5-6-21-17(14)24;17-13-11-14(20-6-19-13)23(7-21-11)16-10(12(25)9(5-24)27-16)22-15(26)8-2-1-3-18-4-8;/h1-4,7-8,11-13,15,19,27-29H,5-6,20H2,(H,25,30)(H2,21,22,23);2-7,9,13,15-16,19,25-26H,8H2,1H3,(H2,20,21)(H,23,27);1-4,6-7,9-10,12,16,24-25H,5H2,(H,22,26)(H2,17,19,20);1H4/t11?,12-,13+,15?,19-;13-,15+,16?,19-;9-,10+,12?,16-;/m111./s1.

What are the key properties of 2-amino-N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide;methane?

2-amino-N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide;methane has a molecular weight of 1216.24 g/mol, XLogP of -2.02, 15 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide;methane is sourced from PubChem (CID 161273407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).