3-[13-[1-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxyethoxy]ethyl]-18-(2-carboxyethyl)-8-ethenyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;manganese(2+)

C50H61MnN7O15+2 — CID 10191809

About 3-[13-[1-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxyethoxy]ethyl]-18-(2-carboxyethyl)-8-ethenyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;manganese(2+)

3-[13-[1-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxyethoxy]ethyl]-18-(2-carboxyethyl)-8-ethenyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;manganese(2+) (PubChem CID 10191809) has the molecular formula C50H61MnN7O15+2 and a molecular weight of 1055.01 g/mol. Its IUPAC name is 3-[13-[1-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxyethoxy]ethyl]-18-(2-carboxyethyl)-8-ethenyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;manganese(2+).

Molecular Properties

• Compound Name: 3-[13-[1-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxyethoxy]ethyl]-18-(2-carboxyethyl)-8-ethenyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;manganese(2+)
• PubChem CID: 10191809
• Molecular Formula: C50H61MnN7O15+2
• Molecular Weight: 1055.01 g/mol
• Exact Mass: 1054.36
• IUPAC Name: 3-[13-[1-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxyethoxy]ethyl]-18-(2-carboxyethyl)-8-ethenyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;manganese(2+)
• SMILES: C=Cc1c(C)c2cc3nc(cc4nc(cc5[nH]c(cc1[nH]2)c(C)c5C(C)OCCOC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(C)=C4CCC(=O)O)C(CCC(=O)O)=C3C.[Mn+2]
• InChI: InChI=1S/C50H61N7O15.Mn/c1-7-32-27(2)35-18-36-28(3)33(8-10-43(58)59)40(52-36)21-41-34(9-11-44(60)61)29(4)37(53-41)20-42-50(30(5)38(54-42)19-39(32)51-35)31(6)71-16-17-72-49(70)26-57(25-48(68)69)15-13-55(22-45(62)63)12-14-56(23-46(64)65)24-47(66)67;/h7,18-21,31,51,54H,1,8-17,22-26H2,2-6H3,(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,68,69);/q;+2/b35-18-,36-18-,37-20-,38-19-,39-19-,40-21-,41-21-,42-20-
• InChIKey: GQMBEIOKXLOFTD-WLDDVTHBSA-N
• XLogP: 5.03
• TPSA: 326.41 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 28
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1055.01
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[13-[1-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxyethoxy]ethyl]-18-(2-carboxyethyl)-8-ethenyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;manganese(2+)?

The IUPAC name of 3-[13-[1-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxyethoxy]ethyl]-18-(2-carboxyethyl)-8-ethenyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;manganese(2+) (CID 10191809) is 3-[13-[1-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxyethoxy]ethyl]-18-(2-carboxyethyl)-8-ethenyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;manganese(2+).

What is the SMILES notation for 3-[13-[1-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxyethoxy]ethyl]-18-(2-carboxyethyl)-8-ethenyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;manganese(2+)?

The canonical SMILES for 3-[13-[1-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxyethoxy]ethyl]-18-(2-carboxyethyl)-8-ethenyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;manganese(2+) is C=Cc1c(C)c2cc3nc(cc4nc(cc5[nH]c(cc1[nH]2)c(C)c5C(C)OCCOC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(C)=C4CCC(=O)O)C(CCC(=O)O)=C3C.[Mn+2].

What is the InChIKey of 3-[13-[1-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxyethoxy]ethyl]-18-(2-carboxyethyl)-8-ethenyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;manganese(2+)?

The InChIKey is GQMBEIOKXLOFTD-WLDDVTHBSA-N. The full InChI is InChI=1S/C50H61N7O15.Mn/c1-7-32-27(2)35-18-36-28(3)33(8-10-43(58)59)40(52-36)21-41-34(9-11-44(60)61)29(4)37(53-41)20-42-50(30(5)38(54-42)19-39(32)51-35)31(6)71-16-17-72-49(70)26-57(25-48(68)69)15-13-55(22-45(62)63)12-14-56(23-46(64)65)24-47(66)67;/h7,18-21,31,51,54H,1,8-17,22-26H2,2-6H3,(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,68,69);/q;+2/b35-18-,36-18-,37-20-,38-19-,39-19-,40-21-,41-21-,42-20-;.

What are the key properties of 3-[13-[1-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxyethoxy]ethyl]-18-(2-carboxyethyl)-8-ethenyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;manganese(2+)?

3-[13-[1-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxyethoxy]ethyl]-18-(2-carboxyethyl)-8-ethenyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;manganese(2+) has a molecular weight of 1055.01 g/mol, XLogP of 5.03, 28 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[13-[1-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxyethoxy]ethyl]-18-(2-carboxyethyl)-8-ethenyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;manganese(2+) is sourced from PubChem (CID 10191809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).