tetrasodium;2-[2-[4-[4-carboxylato-3-[3-(dimethylamino)propylcarbamoyl]-2,6-dimethoxy-6-(4-methyl-2,5-dioxooxolan-3-yl)hexyl]-1-[3-(dimethylamino)propyl]-2,5-dioxopyrrolidin-3-yl]-2-methoxyethyl]-3-ethoxycarbonyl-4-methoxy-6-[3-methoxy-1-[2-[4-[3-(4-methylphenyl)-3-oxopropanoyl]phenoxy]ethoxy]-1-oxopentan-2-yl]heptanedioate;N,N-dimethylbutan-1-amine;ethane;ethanol;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methylphenyl)propane-1,3-dione;3-(1-methoxypropyl)-4-methyloxolane-2,5-dione;hydroxide

C104H151N5Na4O34 — CID 157440711

About tetrasodium;2-[2-[4-[4-carboxylato-3-[3-(dimethylamino)propylcarbamoyl]-2,6-dimethoxy-6-(4-methyl-2,5-dioxooxolan-3-yl)hexyl]-1-[3-(dimethylamino)propyl]-2,5-dioxopyrrolidin-3-yl]-2-methoxyethyl]-3-ethoxycarbonyl-4-methoxy-6-[3-methoxy-1-[2-[4-[3-(4-methylphenyl)-3-oxopropanoyl]phenoxy]ethoxy]-1-oxopentan-2-yl]heptanedioate;N,N-dimethylbutan-1-amine;ethane;ethanol;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methylphenyl)propane-1,3-dione;3-(1-methoxypropyl)-4-methyloxolane-2,5-dione;hydroxide

tetrasodium;2-[2-[4-[4-carboxylato-3-[3-(dimethylamino)propylcarbamoyl]-2,6-dimethoxy-6-(4-methyl-2,5-dioxooxolan-3-yl)hexyl]-1-[3-(dimethylamino)propyl]-2,5-dioxopyrrolidin-3-yl]-2-methoxyethyl]-3-ethoxycarbonyl-4-methoxy-6-[3-methoxy-1-[2-[4-[3-(4-methylphenyl)-3-oxopropanoyl]phenoxy]ethoxy]-1-oxopentan-2-yl]heptanedioate;N,N-dimethylbutan-1-amine;ethane;ethanol;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methylphenyl)propane-1,3-dione;3-(1-methoxypropyl)-4-methyloxolane-2,5-dione;hydroxide (PubChem CID 157440711) has the molecular formula C104H151N5Na4O34 and a molecular weight of 2107.31 g/mol. Its IUPAC name is tetrasodium;2-[2-[4-[4-carboxylato-3-[3-(dimethylamino)propylcarbamoyl]-2,6-dimethoxy-6-(4-methyl-2,5-dioxooxolan-3-yl)hexyl]-1-[3-(dimethylamino)propyl]-2,5-dioxopyrrolidin-3-yl]-2-methoxyethyl]-3-ethoxycarbonyl-4-methoxy-6-[3-methoxy-1-[2-[4-[3-(4-methylphenyl)-3-oxopropanoyl]phenoxy]ethoxy]-1-oxopentan-2-yl]heptanedioate;N,N-dimethylbutan-1-amine;ethane;ethanol;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methylphenyl)propane-1,3-dione;3-(1-methoxypropyl)-4-methyloxolane-2,5-dione;hydroxide.

Molecular Properties

• Compound Name: tetrasodium;2-[2-[4-[4-carboxylato-3-[3-(dimethylamino)propylcarbamoyl]-2,6-dimethoxy-6-(4-methyl-2,5-dioxooxolan-3-yl)hexyl]-1-[3-(dimethylamino)propyl]-2,5-dioxopyrrolidin-3-yl]-2-methoxyethyl]-3-ethoxycarbonyl-4-methoxy-6-[3-methoxy-1-[2-[4-[3-(4-methylphenyl)-3-oxopropanoyl]phenoxy]ethoxy]-1-oxopentan-2-yl]heptanedioate;N,N-dimethylbutan-1-amine;ethane;ethanol;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methylphenyl)propane-1,3-dione;3-(1-methoxypropyl)-4-methyloxolane-2,5-dione;hydroxide
• PubChem CID: 157440711
• Molecular Formula: C104H151N5Na4O34
• Molecular Weight: 2107.31 g/mol
• Exact Mass: 2105.98
• IUPAC Name: tetrasodium;2-[2-[4-[4-carboxylato-3-[3-(dimethylamino)propylcarbamoyl]-2,6-dimethoxy-6-(4-methyl-2,5-dioxooxolan-3-yl)hexyl]-1-[3-(dimethylamino)propyl]-2,5-dioxopyrrolidin-3-yl]-2-methoxyethyl]-3-ethoxycarbonyl-4-methoxy-6-[3-methoxy-1-[2-[4-[3-(4-methylphenyl)-3-oxopropanoyl]phenoxy]ethoxy]-1-oxopentan-2-yl]heptanedioate;N,N-dimethylbutan-1-amine;ethane;ethanol;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methylphenyl)propane-1,3-dione;3-(1-methoxypropyl)-4-methyloxolane-2,5-dione;hydroxide
• SMILES: CCCCN(C)C.CCO.CCOC(=O)C(C(CC(C(=O)[O-])C(C(=O)OCCOc1ccc(C(=O)CC(=O)c2ccc(C)cc2)cc1)C(CC)OC)OC)C(CC(OC)C1C(=O)N(CCCN(C)C)C(=O)C1CC(OC)C(C(=O)NCCCN(C)C)C(CC(OC)C1C(=O)OC(=O)C1C)C(=O)[O-])C(=O)[O-].Cc1ccc(C(=O)CC(=O)c2ccc(OCCO)cc2)cc1.[CH2+]C1C(=O)OC(=O)C1C(CC)OC.[CH2-]C.[Na+].[Na+].[Na+].[Na+].[OH-]
• InChI: InChI=1S/C67H96N4O24.C18H18O4.C9H13O4.C6H15N.C2H6O.C2H5.4Na.H2O/c1-14-48(87-9)56(66(85)94-31-30-93-41-24-22-40(23-25-41)47(73)36-46(72)39-20-18-37(3)19-21-39)44(62(79)80)35-52(91-13)57(65(84)92-15-2)45(63(81)82)34-51(90-12)55-42(59(75)71(60(55)76)29-17-28-70(7)8)32-50(89-11)54(58(74)68-26-16-27-69(5)6)43(61(77)78)33-49(88-10)53-38(4)64(83)95-67(53)86;1-13-2-4-14(5-3-13)17(20)12-18(21)15-6-8-16(9-7-15)22-11-10-19;1-4-6(12-3)7-5(2)8(10)13-9(7)11;1-4-5-6-7(2)3;1-2-3;1-2;;;;;/h18-25,38,42-45,48-57H,14-17,26-36H2,1-13H3,(H,68,74)(H,77,78)(H,79,80)(H,81,82);2-9,19H,10-12H2,1H3;5-7H,2,4H2,1,3H3;4-6H2,1-3H3;3H,2H2,1H3;1H2,2H3;;;;;1H2/q;;+1;;;-1;4*+1;/p-4
• InChIKey: HXONTKUOYGRATD-UHFFFAOYSA-J
• XLogP: -6.71
• TPSA: 548.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 37
• Rotatable Bonds: 58
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2107.31
LogP ≤ 5	-6.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrasodium;2-[2-[4-[4-carboxylato-3-[3-(dimethylamino)propylcarbamoyl]-2,6-dimethoxy-6-(4-methyl-2,5-dioxooxolan-3-yl)hexyl]-1-[3-(dimethylamino)propyl]-2,5-dioxopyrrolidin-3-yl]-2-methoxyethyl]-3-ethoxycarbonyl-4-methoxy-6-[3-methoxy-1-[2-[4-[3-(4-methylphenyl)-3-oxopropanoyl]phenoxy]ethoxy]-1-oxopentan-2-yl]heptanedioate;N,N-dimethylbutan-1-amine;ethane;ethanol;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methylphenyl)propane-1,3-dione;3-(1-methoxypropyl)-4-methyloxolane-2,5-dione;hydroxide?

The IUPAC name of tetrasodium;2-[2-[4-[4-carboxylato-3-[3-(dimethylamino)propylcarbamoyl]-2,6-dimethoxy-6-(4-methyl-2,5-dioxooxolan-3-yl)hexyl]-1-[3-(dimethylamino)propyl]-2,5-dioxopyrrolidin-3-yl]-2-methoxyethyl]-3-ethoxycarbonyl-4-methoxy-6-[3-methoxy-1-[2-[4-[3-(4-methylphenyl)-3-oxopropanoyl]phenoxy]ethoxy]-1-oxopentan-2-yl]heptanedioate;N,N-dimethylbutan-1-amine;ethane;ethanol;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methylphenyl)propane-1,3-dione;3-(1-methoxypropyl)-4-methyloxolane-2,5-dione;hydroxide (CID 157440711) is tetrasodium;2-[2-[4-[4-carboxylato-3-[3-(dimethylamino)propylcarbamoyl]-2,6-dimethoxy-6-(4-methyl-2,5-dioxooxolan-3-yl)hexyl]-1-[3-(dimethylamino)propyl]-2,5-dioxopyrrolidin-3-yl]-2-methoxyethyl]-3-ethoxycarbonyl-4-methoxy-6-[3-methoxy-1-[2-[4-[3-(4-methylphenyl)-3-oxopropanoyl]phenoxy]ethoxy]-1-oxopentan-2-yl]heptanedioate;N,N-dimethylbutan-1-amine;ethane;ethanol;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methylphenyl)propane-1,3-dione;3-(1-methoxypropyl)-4-methyloxolane-2,5-dione;hydroxide.

What is the SMILES notation for tetrasodium;2-[2-[4-[4-carboxylato-3-[3-(dimethylamino)propylcarbamoyl]-2,6-dimethoxy-6-(4-methyl-2,5-dioxooxolan-3-yl)hexyl]-1-[3-(dimethylamino)propyl]-2,5-dioxopyrrolidin-3-yl]-2-methoxyethyl]-3-ethoxycarbonyl-4-methoxy-6-[3-methoxy-1-[2-[4-[3-(4-methylphenyl)-3-oxopropanoyl]phenoxy]ethoxy]-1-oxopentan-2-yl]heptanedioate;N,N-dimethylbutan-1-amine;ethane;ethanol;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methylphenyl)propane-1,3-dione;3-(1-methoxypropyl)-4-methyloxolane-2,5-dione;hydroxide?

The canonical SMILES for tetrasodium;2-[2-[4-[4-carboxylato-3-[3-(dimethylamino)propylcarbamoyl]-2,6-dimethoxy-6-(4-methyl-2,5-dioxooxolan-3-yl)hexyl]-1-[3-(dimethylamino)propyl]-2,5-dioxopyrrolidin-3-yl]-2-methoxyethyl]-3-ethoxycarbonyl-4-methoxy-6-[3-methoxy-1-[2-[4-[3-(4-methylphenyl)-3-oxopropanoyl]phenoxy]ethoxy]-1-oxopentan-2-yl]heptanedioate;N,N-dimethylbutan-1-amine;ethane;ethanol;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methylphenyl)propane-1,3-dione;3-(1-methoxypropyl)-4-methyloxolane-2,5-dione;hydroxide is CCCCN(C)C.CCO.CCOC(=O)C(C(CC(C(=O)[O-])C(C(=O)OCCOc1ccc(C(=O)CC(=O)c2ccc(C)cc2)cc1)C(CC)OC)OC)C(CC(OC)C1C(=O)N(CCCN(C)C)C(=O)C1CC(OC)C(C(=O)NCCCN(C)C)C(CC(OC)C1C(=O)OC(=O)C1C)C(=O)[O-])C(=O)[O-].Cc1ccc(C(=O)CC(=O)c2ccc(OCCO)cc2)cc1.[CH2+]C1C(=O)OC(=O)C1C(CC)OC.[CH2-]C.[Na+].[Na+].[Na+].[Na+].[OH-].

What is the InChIKey of tetrasodium;2-[2-[4-[4-carboxylato-3-[3-(dimethylamino)propylcarbamoyl]-2,6-dimethoxy-6-(4-methyl-2,5-dioxooxolan-3-yl)hexyl]-1-[3-(dimethylamino)propyl]-2,5-dioxopyrrolidin-3-yl]-2-methoxyethyl]-3-ethoxycarbonyl-4-methoxy-6-[3-methoxy-1-[2-[4-[3-(4-methylphenyl)-3-oxopropanoyl]phenoxy]ethoxy]-1-oxopentan-2-yl]heptanedioate;N,N-dimethylbutan-1-amine;ethane;ethanol;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methylphenyl)propane-1,3-dione;3-(1-methoxypropyl)-4-methyloxolane-2,5-dione;hydroxide?

The InChIKey is HXONTKUOYGRATD-UHFFFAOYSA-J. The full InChI is InChI=1S/C67H96N4O24.C18H18O4.C9H13O4.C6H15N.C2H6O.C2H5.4Na.H2O/c1-14-48(87-9)56(66(85)94-31-30-93-41-24-22-40(23-25-41)47(73)36-46(72)39-20-18-37(3)19-21-39)44(62(79)80)35-52(91-13)57(65(84)92-15-2)45(63(81)82)34-51(90-12)55-42(59(75)71(60(55)76)29-17-28-70(7)8)32-50(89-11)54(58(74)68-26-16-27-69(5)6)43(61(77)78)33-49(88-10)53-38(4)64(83)95-67(53)86;1-13-2-4-14(5-3-13)17(20)12-18(21)15-6-8-16(9-7-15)22-11-10-19;1-4-6(12-3)7-5(2)8(10)13-9(7)11;1-4-5-6-7(2)3;1-2-3;1-2;;;;;/h18-25,38,42-45,48-57H,14-17,26-36H2,1-13H3,(H,68,74)(H,77,78)(H,79,80)(H,81,82);2-9,19H,10-12H2,1H3;5-7H,2,4H2,1,3H3;4-6H2,1-3H3;3H,2H2,1H3;1H2,2H3;;;;;1H2/q;;+1;;;-1;4*+1;/p-4.

What are the key properties of tetrasodium;2-[2-[4-[4-carboxylato-3-[3-(dimethylamino)propylcarbamoyl]-2,6-dimethoxy-6-(4-methyl-2,5-dioxooxolan-3-yl)hexyl]-1-[3-(dimethylamino)propyl]-2,5-dioxopyrrolidin-3-yl]-2-methoxyethyl]-3-ethoxycarbonyl-4-methoxy-6-[3-methoxy-1-[2-[4-[3-(4-methylphenyl)-3-oxopropanoyl]phenoxy]ethoxy]-1-oxopentan-2-yl]heptanedioate;N,N-dimethylbutan-1-amine;ethane;ethanol;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methylphenyl)propane-1,3-dione;3-(1-methoxypropyl)-4-methyloxolane-2,5-dione;hydroxide?

tetrasodium;2-[2-[4-[4-carboxylato-3-[3-(dimethylamino)propylcarbamoyl]-2,6-dimethoxy-6-(4-methyl-2,5-dioxooxolan-3-yl)hexyl]-1-[3-(dimethylamino)propyl]-2,5-dioxopyrrolidin-3-yl]-2-methoxyethyl]-3-ethoxycarbonyl-4-methoxy-6-[3-methoxy-1-[2-[4-[3-(4-methylphenyl)-3-oxopropanoyl]phenoxy]ethoxy]-1-oxopentan-2-yl]heptanedioate;N,N-dimethylbutan-1-amine;ethane;ethanol;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methylphenyl)propane-1,3-dione;3-(1-methoxypropyl)-4-methyloxolane-2,5-dione;hydroxide has a molecular weight of 2107.31 g/mol, XLogP of -6.71, 58 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for tetrasodium;2-[2-[4-[4-carboxylato-3-[3-(dimethylamino)propylcarbamoyl]-2,6-dimethoxy-6-(4-methyl-2,5-dioxooxolan-3-yl)hexyl]-1-[3-(dimethylamino)propyl]-2,5-dioxopyrrolidin-3-yl]-2-methoxyethyl]-3-ethoxycarbonyl-4-methoxy-6-[3-methoxy-1-[2-[4-[3-(4-methylphenyl)-3-oxopropanoyl]phenoxy]ethoxy]-1-oxopentan-2-yl]heptanedioate;N,N-dimethylbutan-1-amine;ethane;ethanol;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methylphenyl)propane-1,3-dione;3-(1-methoxypropyl)-4-methyloxolane-2,5-dione;hydroxide is sourced from PubChem (CID 157440711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).