[(2R)-3-acetyloxy-5-[5-amino-4-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[5-amino-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyanomethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[(8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-(methoxymethylideneamino)oxolan-2-yl]methyl acetate;(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanedinitrile;(8R)-3-[(5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol;methane;trimethoxymethane

C99H172N20O32Si4 — CID 162150742

About [(2R)-3-acetyloxy-5-[5-amino-4-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[5-amino-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyanomethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[(8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-(methoxymethylideneamino)oxolan-2-yl]methyl acetate;(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanedinitrile;(8R)-3-[(5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol;methane;trimethoxymethane

[(2R)-3-acetyloxy-5-[5-amino-4-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[5-amino-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyanomethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[(8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-(methoxymethylideneamino)oxolan-2-yl]methyl acetate;(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanedinitrile;(8R)-3-[(5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol;methane;trimethoxymethane (PubChem CID 162150742) has the molecular formula C99H172N20O32Si4 and a molecular weight of 2266.92 g/mol. Its IUPAC name is [(2R)-3-acetyloxy-5-[5-amino-4-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[5-amino-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyanomethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[(8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-(methoxymethylideneamino)oxolan-2-yl]methyl acetate;(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanedinitrile;(8R)-3-[(5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol;methane;trimethoxymethane.

Molecular Properties

• Compound Name: [(2R)-3-acetyloxy-5-[5-amino-4-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[5-amino-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyanomethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[(8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-(methoxymethylideneamino)oxolan-2-yl]methyl acetate;(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanedinitrile;(8R)-3-[(5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol;methane;trimethoxymethane
• PubChem CID: 162150742
• Molecular Formula: C99H172N20O32Si4
• Molecular Weight: 2266.92 g/mol
• Exact Mass: 2265.15
• IUPAC Name: [(2R)-3-acetyloxy-5-[5-amino-4-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[5-amino-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyanomethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[(8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-(methoxymethylideneamino)oxolan-2-yl]methyl acetate;(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanedinitrile;(8R)-3-[(5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol;methane;trimethoxymethane
• SMILES: C.C.CC(=O)OC[C@H]1OC(n2cnc([C@@H](CN)O[Si](C)(C)C(C)(C)C)c2N)CC1OC(C)=O.CC(=O)OC[C@H]1OC(n2cnc([C@H](C#N)O[Si](C)(C)C(C)(C)C)c2N)CC1OC(C)=O.CC(=O)OC[C@H]1OC(n2cnc3c2NC=NC[C@H]3O[Si](C)(C)C(C)(C)C)CC1OC(C)=O.CC(C)(C)[Si](C)(C)O[C@@H](C#N)[C@@H](N)C#N.COC(OC)OC.COC=NC1CC(OC(C)=O)[C@@H](COC(C)=O)O1.OC[C@H]1OC(n2cnc3c2NC=NC[C@H]3O)CC1O
• InChI: InChI=1S/C21H34N4O6Si.C20H36N4O6Si.C20H32N4O6Si.C11H16N4O4.C11H17NO6.C10H19N3OSi.C4H10O3.2CH4/c1-13(26)28-10-17-15(29-14(2)27)8-18(30-17)25-12-24-19-16(9-22-11-23-20(19)25)31-32(6,7)21(3,4)5;2*1-12(25)27-10-16-14(28-13(2)26)8-17(29-16)24-11-23-18(19(24)22)15(9-21)30-31(6,7)20(3,4)5;16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15;1-7(13)16-5-10-9(17-8(2)14)4-11(18-10)12-6-15-3;1-10(2,3)15(4,5)14-9(7-12)8(13)6-11;1-5-4(6-2)7-3;;/h11-12,15-18H,8-10H2,1-7H3,(H,22,23);11,14-17H,8-10,21-22H2,1-7H3;11,14-17H,8,10,22H2,1-7H3;4-9,16-18H,1-3H2,(H,12,13);6,9-11H,4-5H2,1-3H3;8-9H,13H2,1-5H3;4H,1-3H3;2*1H4/t15?,16-,17-,18?;14?,15-,16-,17?;14?,15-,16+,17?;6?,7-,8-,9?;9?,10-,11?;8-,9-;;;/m110110.../s1
• InChIKey: ZLECXRMKNZYLPZ-KAWGICEHSA-N
• XLogP: 10.80
• TPSA: 698.95 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 52
• Rotatable Bonds: 34
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2266.92
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-acetyloxy-5-[5-amino-4-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[5-amino-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyanomethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[(8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-(methoxymethylideneamino)oxolan-2-yl]methyl acetate;(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanedinitrile;(8R)-3-[(5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol;methane;trimethoxymethane?

The IUPAC name of [(2R)-3-acetyloxy-5-[5-amino-4-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[5-amino-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyanomethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[(8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-(methoxymethylideneamino)oxolan-2-yl]methyl acetate;(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanedinitrile;(8R)-3-[(5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol;methane;trimethoxymethane (CID 162150742) is [(2R)-3-acetyloxy-5-[5-amino-4-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[5-amino-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyanomethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[(8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-(methoxymethylideneamino)oxolan-2-yl]methyl acetate;(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanedinitrile;(8R)-3-[(5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol;methane;trimethoxymethane.

What is the SMILES notation for [(2R)-3-acetyloxy-5-[5-amino-4-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[5-amino-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyanomethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[(8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-(methoxymethylideneamino)oxolan-2-yl]methyl acetate;(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanedinitrile;(8R)-3-[(5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol;methane;trimethoxymethane?

The canonical SMILES for [(2R)-3-acetyloxy-5-[5-amino-4-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[5-amino-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyanomethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[(8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-(methoxymethylideneamino)oxolan-2-yl]methyl acetate;(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanedinitrile;(8R)-3-[(5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol;methane;trimethoxymethane is C.C.CC(=O)OC[C@H]1OC(n2cnc([C@@H](CN)O[Si](C)(C)C(C)(C)C)c2N)CC1OC(C)=O.CC(=O)OC[C@H]1OC(n2cnc([C@H](C#N)O[Si](C)(C)C(C)(C)C)c2N)CC1OC(C)=O.CC(=O)OC[C@H]1OC(n2cnc3c2NC=NC[C@H]3O[Si](C)(C)C(C)(C)C)CC1OC(C)=O.CC(C)(C)[Si](C)(C)O[C@@H](C#N)[C@@H](N)C#N.COC(OC)OC.COC=NC1CC(OC(C)=O)[C@@H](COC(C)=O)O1.OC[C@H]1OC(n2cnc3c2NC=NC[C@H]3O)CC1O.

What is the InChIKey of [(2R)-3-acetyloxy-5-[5-amino-4-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[5-amino-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyanomethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[(8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-(methoxymethylideneamino)oxolan-2-yl]methyl acetate;(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanedinitrile;(8R)-3-[(5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol;methane;trimethoxymethane?

The InChIKey is ZLECXRMKNZYLPZ-KAWGICEHSA-N. The full InChI is InChI=1S/C21H34N4O6Si.C20H36N4O6Si.C20H32N4O6Si.C11H16N4O4.C11H17NO6.C10H19N3OSi.C4H10O3.2CH4/c1-13(26)28-10-17-15(29-14(2)27)8-18(30-17)25-12-24-19-16(9-22-11-23-20(19)25)31-32(6,7)21(3,4)5;2*1-12(25)27-10-16-14(28-13(2)26)8-17(29-16)24-11-23-18(19(24)22)15(9-21)30-31(6,7)20(3,4)5;16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15;1-7(13)16-5-10-9(17-8(2)14)4-11(18-10)12-6-15-3;1-10(2,3)15(4,5)14-9(7-12)8(13)6-11;1-5-4(6-2)7-3;;/h11-12,15-18H,8-10H2,1-7H3,(H,22,23);11,14-17H,8-10,21-22H2,1-7H3;11,14-17H,8,10,22H2,1-7H3;4-9,16-18H,1-3H2,(H,12,13);6,9-11H,4-5H2,1-3H3;8-9H,13H2,1-5H3;4H,1-3H3;2*1H4/t15?,16-,17-,18?;14?,15-,16-,17?;14?,15-,16+,17?;6?,7-,8-,9?;9?,10-,11?;8-,9-;;;/m110110.../s1.

What are the key properties of [(2R)-3-acetyloxy-5-[5-amino-4-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[5-amino-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyanomethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[(8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-(methoxymethylideneamino)oxolan-2-yl]methyl acetate;(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanedinitrile;(8R)-3-[(5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol;methane;trimethoxymethane?

[(2R)-3-acetyloxy-5-[5-amino-4-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[5-amino-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyanomethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[(8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-(methoxymethylideneamino)oxolan-2-yl]methyl acetate;(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanedinitrile;(8R)-3-[(5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol;methane;trimethoxymethane has a molecular weight of 2266.92 g/mol, XLogP of 10.80, 34 rotatable bonds, 9 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-3-acetyloxy-5-[5-amino-4-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[5-amino-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyanomethyl]imidazol-1-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-[(8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl]oxolan-2-yl]methyl acetate;[(2R)-3-acetyloxy-5-(methoxymethylideneamino)oxolan-2-yl]methyl acetate;(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanedinitrile;(8R)-3-[(5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol;methane;trimethoxymethane is sourced from PubChem (CID 162150742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).