[(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(4-amino-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol;but-1-ene;4-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;4-chloro-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-5-ethyl-4-methyl-2-(3-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-1-yl)oxolan-3-yl] benzoate;yttrium

C92H103Cl3N11O15Y- — CID 158886300

About [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(4-amino-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol;but-1-ene;4-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;4-chloro-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-5-ethyl-4-methyl-2-(3-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-1-yl)oxolan-3-yl] benzoate;yttrium

[(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(4-amino-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol;but-1-ene;4-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;4-chloro-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-5-ethyl-4-methyl-2-(3-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-1-yl)oxolan-3-yl] benzoate;yttrium (PubChem CID 158886300) has the molecular formula C92H103Cl3N11O15Y- and a molecular weight of 1798.16 g/mol. Its IUPAC name is [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(4-amino-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol;but-1-ene;4-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;4-chloro-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-5-ethyl-4-methyl-2-(3-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-1-yl)oxolan-3-yl] benzoate;yttrium.

Molecular Properties

• Compound Name: [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(4-amino-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol;but-1-ene;4-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;4-chloro-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-5-ethyl-4-methyl-2-(3-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-1-yl)oxolan-3-yl] benzoate;yttrium
• PubChem CID: 158886300
• Molecular Formula: C92H103Cl3N11O15Y-
• Molecular Weight: 1798.16 g/mol
• Exact Mass: 1795.58
• IUPAC Name: [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(4-amino-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol;but-1-ene;4-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;4-chloro-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-5-ethyl-4-methyl-2-(3-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-1-yl)oxolan-3-yl] benzoate;yttrium
• SMILES: C=CCC.CC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@H]1C.CC[C@H]1O[C@@H](n2cc(C)c3[c-]ccnc32)[C@H](OC(=O)c2ccccc2)[C@@H]1C.CC[C@H]1O[C@@H](n2cc(C)c3c(Cl)ccnc32)[C@H](OC(=O)c2ccccc2)[C@@H]1C.Cc1c[nH]c2nccc(Cl)c12.Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nccc(N)c12.Clc1ccnc2[nH]ccc12.[Y]
• InChI: InChI=1S/C22H23ClN2O3.C22H23N2O3.C16H20O5.C13H17N3O4.C8H7ClN2.C7H5ClN2.C4H8.Y/c1-4-17-14(3)19(28-22(26)15-8-6-5-7-9-15)21(27-17)25-12-13(2)18-16(23)10-11-24-20(18)25;1-4-18-15(3)19(27-22(25)16-9-6-5-7-10-16)21(26-18)24-13-14(2)17-11-8-12-23-20(17)24;1-4-13-10(2)14(16(20-13)19-11(3)17)21-15(18)12-8-6-5-7-9-12;1-6-4-16(12-9(6)7(14)2-3-15-12)13-11(19)10(18)8(5-17)20-13;1-5-4-11-8-7(5)6(9)2-3-10-8;8-6-2-4-10-7-5(6)1-3-9-7;1-3-4-2;/h5-12,14,17,19,21H,4H2,1-3H3;5-10,12-13,15,18-19,21H,4H2,1-3H3;5-10,13-14,16H,4H2,1-3H3;2-4,8,10-11,13,17-19H,5H2,1H3,(H2,14,15);2-4H,1H3,(H,10,11);1-4H,(H,9,10);3H,1,4H2,2H3;/q;-1;;;;;;/t14-,17-,19-,21-;15-,18-,19-,21-;10-,13-,14-,16-;8-,10-,11-,13-;;;;/m1111..../s1
• InChIKey: UXVIJAANQHXXNI-OBROGQFTSA-N
• XLogP: 17.89
• TPSA: 339.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1798.16
LogP ≤ 5	17.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(4-amino-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol;but-1-ene;4-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;4-chloro-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-5-ethyl-4-methyl-2-(3-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-1-yl)oxolan-3-yl] benzoate;yttrium?

The IUPAC name of [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(4-amino-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol;but-1-ene;4-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;4-chloro-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-5-ethyl-4-methyl-2-(3-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-1-yl)oxolan-3-yl] benzoate;yttrium (CID 158886300) is [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(4-amino-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol;but-1-ene;4-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;4-chloro-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-5-ethyl-4-methyl-2-(3-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-1-yl)oxolan-3-yl] benzoate;yttrium.

What is the SMILES notation for [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(4-amino-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol;but-1-ene;4-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;4-chloro-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-5-ethyl-4-methyl-2-(3-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-1-yl)oxolan-3-yl] benzoate;yttrium?

The canonical SMILES for [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(4-amino-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol;but-1-ene;4-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;4-chloro-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-5-ethyl-4-methyl-2-(3-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-1-yl)oxolan-3-yl] benzoate;yttrium is C=CCC.CC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@H]1C.CC[C@H]1O[C@@H](n2cc(C)c3[c-]ccnc32)[C@H](OC(=O)c2ccccc2)[C@@H]1C.CC[C@H]1O[C@@H](n2cc(C)c3c(Cl)ccnc32)[C@H](OC(=O)c2ccccc2)[C@@H]1C.Cc1c[nH]c2nccc(Cl)c12.Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nccc(N)c12.Clc1ccnc2[nH]ccc12.[Y].

What is the InChIKey of [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(4-amino-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol;but-1-ene;4-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;4-chloro-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-5-ethyl-4-methyl-2-(3-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-1-yl)oxolan-3-yl] benzoate;yttrium?

The InChIKey is UXVIJAANQHXXNI-OBROGQFTSA-N. The full InChI is InChI=1S/C22H23ClN2O3.C22H23N2O3.C16H20O5.C13H17N3O4.C8H7ClN2.C7H5ClN2.C4H8.Y/c1-4-17-14(3)19(28-22(26)15-8-6-5-7-9-15)21(27-17)25-12-13(2)18-16(23)10-11-24-20(18)25;1-4-18-15(3)19(27-22(25)16-9-6-5-7-10-16)21(26-18)24-13-14(2)17-11-8-12-23-20(17)24;1-4-13-10(2)14(16(20-13)19-11(3)17)21-15(18)12-8-6-5-7-9-12;1-6-4-16(12-9(6)7(14)2-3-15-12)13-11(19)10(18)8(5-17)20-13;1-5-4-11-8-7(5)6(9)2-3-10-8;8-6-2-4-10-7-5(6)1-3-9-7;1-3-4-2;/h5-12,14,17,19,21H,4H2,1-3H3;5-10,12-13,15,18-19,21H,4H2,1-3H3;5-10,13-14,16H,4H2,1-3H3;2-4,8,10-11,13,17-19H,5H2,1H3,(H2,14,15);2-4H,1H3,(H,10,11);1-4H,(H,9,10);3H,1,4H2,2H3;/q;-1;;;;;;/t14-,17-,19-,21-;15-,18-,19-,21-;10-,13-,14-,16-;8-,10-,11-,13-;;;;/m1111..../s1.

What are the key properties of [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(4-amino-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol;but-1-ene;4-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;4-chloro-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-5-ethyl-4-methyl-2-(3-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-1-yl)oxolan-3-yl] benzoate;yttrium?

[(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(4-amino-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol;but-1-ene;4-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;4-chloro-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-5-ethyl-4-methyl-2-(3-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-1-yl)oxolan-3-yl] benzoate;yttrium has a molecular weight of 1798.16 g/mol, XLogP of 17.89, 15 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(4-amino-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol;but-1-ene;4-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;4-chloro-1H-pyrrolo[2,3-b]pyridine;[(2R,3R,4R,5R)-5-ethyl-4-methyl-2-(3-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-1-yl)oxolan-3-yl] benzoate;yttrium is sourced from PubChem (CID 158886300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).