[(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-hydroxyphosphanyl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-(2-isocyanoethoxy)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethanol;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;vanadium

C87H129N16O21P3V — CID 158742163

About [(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-hydroxyphosphanyl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-(2-isocyanoethoxy)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethanol;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;vanadium

[(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-hydroxyphosphanyl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-(2-isocyanoethoxy)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethanol;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;vanadium (PubChem CID 158742163) has the molecular formula C87H129N16O21P3V and a molecular weight of 1878.95 g/mol. Its IUPAC name is [(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-hydroxyphosphanyl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-(2-isocyanoethoxy)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethanol;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;vanadium.

Molecular Properties

• Compound Name: [(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-hydroxyphosphanyl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-(2-isocyanoethoxy)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethanol;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;vanadium
• PubChem CID: 158742163
• Molecular Formula: C87H129N16O21P3V
• Molecular Weight: 1878.95 g/mol
• Exact Mass: 1877.82
• IUPAC Name: [(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-hydroxyphosphanyl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-(2-isocyanoethoxy)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethanol;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;vanadium
• SMILES: CC(=O)OC[C@H](CO)OC(C)=O.CCCCc1nc2c(N)nc3ccccc3c2n1CCO.CCCCc1nc2c(N)nc3ccccc3c2n1CCOP(O)OC[C@@H](COC(C)=O)OC(C)=O.[C-]#[N+]CCOP(N(C(C)C)C(C)C)N(C(C)C)C(C)C.[C-]#[N+]CCOP(OCCn1c(CCCC)nc2c(N)nc3ccccc3c21)OC[C@@H](COC(C)=O)OC(C)=O.[V]
• InChI: InChI=1S/C26H34N5O7P.C23H31N4O7P.C16H20N4O.C15H32N3OP.C7H12O5.V/c1-5-6-11-23-30-24-25(21-9-7-8-10-22(21)29-26(24)27)31(23)13-15-36-39(35-14-12-28-4)37-17-20(38-19(3)33)16-34-18(2)32;1-4-5-10-20-26-21-22(18-8-6-7-9-19(18)25-23(21)24)27(20)11-12-32-35(30)33-14-17(34-16(3)29)13-31-15(2)28;1-2-3-8-13-19-14-15(20(13)9-10-21)11-6-4-5-7-12(11)18-16(14)17;1-12(2)17(13(3)4)20(19-11-10-16-9)18(14(5)6)15(7)8;1-5(9)11-4-7(3-8)12-6(2)10;/h7-10,20H,5-6,11-17H2,1-3H3,(H2,27,29);6-9,17,30H,4-5,10-14H2,1-3H3,(H2,24,25);4-7,21H,2-3,8-10H2,1H3,(H2,17,18);12-15H,10-11H2,1-8H3;7-8H,3-4H2,1-2H3;/t20-,39?;17-,35?;;;7-;/m11..0./s1
• InChIKey: IMKWBCFLSZNVSC-UVWKPBCISA-N
• XLogP: 13.82
• TPSA: 459.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 47
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1878.95
LogP ≤ 5	13.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-hydroxyphosphanyl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-(2-isocyanoethoxy)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethanol;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;vanadium?

The IUPAC name of [(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-hydroxyphosphanyl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-(2-isocyanoethoxy)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethanol;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;vanadium (CID 158742163) is [(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-hydroxyphosphanyl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-(2-isocyanoethoxy)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethanol;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;vanadium.

What is the SMILES notation for [(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-hydroxyphosphanyl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-(2-isocyanoethoxy)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethanol;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;vanadium?

The canonical SMILES for [(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-hydroxyphosphanyl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-(2-isocyanoethoxy)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethanol;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;vanadium is CC(=O)OC[C@H](CO)OC(C)=O.CCCCc1nc2c(N)nc3ccccc3c2n1CCO.CCCCc1nc2c(N)nc3ccccc3c2n1CCOP(O)OC[C@@H](COC(C)=O)OC(C)=O.[C-]#[N+]CCOP(N(C(C)C)C(C)C)N(C(C)C)C(C)C.[C-]#[N+]CCOP(OCCn1c(CCCC)nc2c(N)nc3ccccc3c21)OC[C@@H](COC(C)=O)OC(C)=O.[V].

What is the InChIKey of [(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-hydroxyphosphanyl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-(2-isocyanoethoxy)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethanol;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;vanadium?

The InChIKey is IMKWBCFLSZNVSC-UVWKPBCISA-N. The full InChI is InChI=1S/C26H34N5O7P.C23H31N4O7P.C16H20N4O.C15H32N3OP.C7H12O5.V/c1-5-6-11-23-30-24-25(21-9-7-8-10-22(21)29-26(24)27)31(23)13-15-36-39(35-14-12-28-4)37-17-20(38-19(3)33)16-34-18(2)32;1-4-5-10-20-26-21-22(18-8-6-7-9-19(18)25-23(21)24)27(20)11-12-32-35(30)33-14-17(34-16(3)29)13-31-15(2)28;1-2-3-8-13-19-14-15(20(13)9-10-21)11-6-4-5-7-12(11)18-16(14)17;1-12(2)17(13(3)4)20(19-11-10-16-9)18(14(5)6)15(7)8;1-5(9)11-4-7(3-8)12-6(2)10;/h7-10,20H,5-6,11-17H2,1-3H3,(H2,27,29);6-9,17,30H,4-5,10-14H2,1-3H3,(H2,24,25);4-7,21H,2-3,8-10H2,1H3,(H2,17,18);12-15H,10-11H2,1-8H3;7-8H,3-4H2,1-2H3;/t20-,39?;17-,35?;;;7-;/m11..0./s1.

What are the key properties of [(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-hydroxyphosphanyl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-(2-isocyanoethoxy)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethanol;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;vanadium?

[(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-hydroxyphosphanyl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-(2-isocyanoethoxy)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethanol;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;vanadium has a molecular weight of 1878.95 g/mol, XLogP of 13.82, 47 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-hydroxyphosphanyl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-(2-isocyanoethoxy)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethanol;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;vanadium is sourced from PubChem (CID 158742163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).