terbium;2-[[5,11,17,23-tetratert-butyl-26,27-bis(carboxymethoxy)-28-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetic acid

C58H70N2O11Tb — CID 10374019

About terbium;2-[[5,11,17,23-tetratert-butyl-26,27-bis(carboxymethoxy)-28-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetic acid

terbium;2-[[5,11,17,23-tetratert-butyl-26,27-bis(carboxymethoxy)-28-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetic acid (PubChem CID 10374019) has the molecular formula C58H70N2O11Tb and a molecular weight of 1130.13 g/mol. Its IUPAC name is terbium;2-[[5,11,17,23-tetratert-butyl-26,27-bis(carboxymethoxy)-28-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetic acid.

Molecular Properties

• Compound Name: terbium;2-[[5,11,17,23-tetratert-butyl-26,27-bis(carboxymethoxy)-28-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetic acid
• PubChem CID: 10374019
• Molecular Formula: C58H70N2O11Tb
• Molecular Weight: 1130.13 g/mol
• Exact Mass: 1129.42
• IUPAC Name: terbium;2-[[5,11,17,23-tetratert-butyl-26,27-bis(carboxymethoxy)-28-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetic acid
• SMILES: CC(C)(C)c1cc2c(OCC(=O)O)c(c1)Cc1cc(C(C)(C)C)cc(c1OCC(=O)O)Cc1cc(C(C)(C)C)cc(c1OCC(=O)NCc1ccccn1)Cc1cc(C(C)(C)C)cc(c1OCC(=O)O)C2.[Tb]
• InChI: InChI=1S/C58H70N2O11.Tb/c1-55(2,3)42-21-34-17-36-23-43(56(4,5)6)25-38(52(36)69-31-48(62)63)19-40-27-45(58(10,11)12)28-41(54(40)71-33-50(66)67)20-39-26-44(57(7,8)9)24-37(53(39)70-32-49(64)65)18-35(22-42)51(34)68-30-47(61)60-29-46-15-13-14-16-59-46;/h13-16,21-28H,17-20,29-33H2,1-12H3,(H,60,61)(H,62,63)(H,64,65)(H,66,67)
• InChIKey: RJJLUDZTCPJQMI-UHFFFAOYSA-N
• XLogP: 10.03
• TPSA: 190.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1130.13
LogP ≤ 5	10.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of terbium;2-[[5,11,17,23-tetratert-butyl-26,27-bis(carboxymethoxy)-28-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetic acid?

The IUPAC name of terbium;2-[[5,11,17,23-tetratert-butyl-26,27-bis(carboxymethoxy)-28-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetic acid (CID 10374019) is terbium;2-[[5,11,17,23-tetratert-butyl-26,27-bis(carboxymethoxy)-28-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetic acid.

What is the SMILES notation for terbium;2-[[5,11,17,23-tetratert-butyl-26,27-bis(carboxymethoxy)-28-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetic acid?

The canonical SMILES for terbium;2-[[5,11,17,23-tetratert-butyl-26,27-bis(carboxymethoxy)-28-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetic acid is CC(C)(C)c1cc2c(OCC(=O)O)c(c1)Cc1cc(C(C)(C)C)cc(c1OCC(=O)O)Cc1cc(C(C)(C)C)cc(c1OCC(=O)NCc1ccccn1)Cc1cc(C(C)(C)C)cc(c1OCC(=O)O)C2.[Tb].

What is the InChIKey of terbium;2-[[5,11,17,23-tetratert-butyl-26,27-bis(carboxymethoxy)-28-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetic acid?

The InChIKey is RJJLUDZTCPJQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H70N2O11.Tb/c1-55(2,3)42-21-34-17-36-23-43(56(4,5)6)25-38(52(36)69-31-48(62)63)19-40-27-45(58(10,11)12)28-41(54(40)71-33-50(66)67)20-39-26-44(57(7,8)9)24-37(53(39)70-32-49(64)65)18-35(22-42)51(34)68-30-47(61)60-29-46-15-13-14-16-59-46;/h13-16,21-28H,17-20,29-33H2,1-12H3,(H,60,61)(H,62,63)(H,64,65)(H,66,67);.

What are the key properties of terbium;2-[[5,11,17,23-tetratert-butyl-26,27-bis(carboxymethoxy)-28-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetic acid?

terbium;2-[[5,11,17,23-tetratert-butyl-26,27-bis(carboxymethoxy)-28-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetic acid has a molecular weight of 1130.13 g/mol, XLogP of 10.03, 14 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for terbium;2-[[5,11,17,23-tetratert-butyl-26,27-bis(carboxymethoxy)-28-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetic acid is sourced from PubChem (CID 10374019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).