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]-4-fluorobenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-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

C71H78FN25O18 — CID 158027990

IUPAC2-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]-4-fluorobenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-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
SMILESCOc1cccc(C(=O)N[C@H]2C(O)[C@@H](CO)O[C@H]2n2cnc3c(N)ncnc32)c1.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)C(O)[C@@H]1NC(=O)c1ccc(F)cc1.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
InChIInChI=1S/C19H23N7O5.C18H18FN5O4.C18H20N6O5.C16H17N7O4/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;19-10-3-1-9(2-4-10)17(27)23-14-15(26)12(7-25)28-18(14)24-8-22-13-11(20)5-6-21-16(13)24;1-28-10-4-2-3-9(5-10)17(27)23-12-14(26)11(6-25)29-18(12)24-8-22-13-15(19)20-7-21-16(13)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);1-6,8,12,14-15,18,25-26H,7H2,(H2,20,21)(H,23,27);2-5,7-8,11-12,14,18,25-26H,6H2,1H3,(H,23,27)(H2,19,20,21);1-4,6-7,9-10,12,16,24-25H,5H2,(H,22,26)(H2,17,19,20)/t11?,12-,13+,15?,19-;12-,14+,15?,18-;11-,12+,14?,18-;9-,10+,12?,16-/m1111/s1
InChIKeyFGVGYSLLQLPDRU-GIVYYNQPSA-N
MW1588.56 g/mol
LogP-3.06
Rot. Bonds19

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]-4-fluorobenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-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

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]-4-fluorobenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-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 (PubChem CID 158027990) has the molecular formula C71H78FN25O18 and a molecular weight of 1588.56 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]-4-fluorobenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-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.

Molecular Properties

Compound Name2-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]-4-fluorobenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-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
PubChem CID158027990
Molecular FormulaC71H78FN25O18
Molecular Weight1588.56 g/mol
Exact Mass1587.59
IUPAC Name2-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]-4-fluorobenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-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
SMILESCOc1cccc(C(=O)N[C@H]2C(O)[C@@H](CO)O[C@H]2n2cnc3c(N)ncnc32)c1.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)C(O)[C@@H]1NC(=O)c1ccc(F)cc1.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
InChIInChI=1S/C19H23N7O5.C18H18FN5O4.C18H20N6O5.C16H17N7O4/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;19-10-3-1-9(2-4-10)17(27)23-14-15(26)12(7-25)28-18(14)24-8-22-13-11(20)5-6-21-16(13)24;1-28-10-4-2-3-9(5-10)17(27)23-12-14(26)11(6-25)29-18(12)24-8-22-13-15(19)20-7-21-16(13)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);1-6,8,12,14-15,18,25-26H,7H2,(H2,20,21)(H,23,27);2-5,7-8,11-12,14,18,25-26H,6H2,1H3,(H,23,27)(H2,19,20,21);1-4,6-7,9-10,12,16,24-25H,5H2,(H,22,26)(H2,17,19,20)/t11?,12-,13+,15?,19-;12-,14+,15?,18-;11-,12+,14?,18-;9-,10+,12?,16-/m1111/s1
InChIKeyFGVGYSLLQLPDRU-GIVYYNQPSA-N
XLogP-3.06
TPSA649.12 Ų
H-Bond Donors18
H-Bond Acceptors39
Rotatable Bonds19
Heavy Atoms115
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001588.56
LogP ≤ 5-3.06
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1039

Analyze 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]-4-fluorobenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-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 with MolForge

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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]-4-fluorobenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-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?
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]-4-fluorobenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-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 (CID 158027990) 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]-4-fluorobenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-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.
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]-4-fluorobenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-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?
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]-4-fluorobenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-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 is COc1cccc(C(=O)N[C@H]2C(O)[C@@H](CO)O[C@H]2n2cnc3c(N)ncnc32)c1.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)C(O)[C@@H]1NC(=O)c1ccc(F)cc1.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]-4-fluorobenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-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?
The InChIKey is FGVGYSLLQLPDRU-GIVYYNQPSA-N. The full InChI is InChI=1S/C19H23N7O5.C18H18FN5O4.C18H20N6O5.C16H17N7O4/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;19-10-3-1-9(2-4-10)17(27)23-14-15(26)12(7-25)28-18(14)24-8-22-13-11(20)5-6-21-16(13)24;1-28-10-4-2-3-9(5-10)17(27)23-12-14(26)11(6-25)29-18(12)24-8-22-13-15(19)20-7-21-16(13)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);1-6,8,12,14-15,18,25-26H,7H2,(H2,20,21)(H,23,27);2-5,7-8,11-12,14,18,25-26H,6H2,1H3,(H,23,27)(H2,19,20,21);1-4,6-7,9-10,12,16,24-25H,5H2,(H,22,26)(H2,17,19,20)/t11?,12-,13+,15?,19-;12-,14+,15?,18-;11-,12+,14?,18-;9-,10+,12?,16-/m1111/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]-4-fluorobenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-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?
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]-4-fluorobenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-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 has a molecular weight of 1588.56 g/mol, XLogP of -3.06, 19 rotatable bonds, 18 hydrogen bond donors, and 39 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]-4-fluorobenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-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 is sourced from PubChem (CID 158027990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).