platinum(2+);3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid

C40H38N4O16Pt+2 — CID 10373820

About platinum(2+);3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid

platinum(2+);3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid (PubChem CID 10373820) has the molecular formula C40H38N4O16Pt+2 and a molecular weight of 1025.83 g/mol. Its IUPAC name is platinum(2+);3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid.

Molecular Properties

• Compound Name: platinum(2+);3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid
• PubChem CID: 10373820
• Molecular Formula: C40H38N4O16Pt+2
• Molecular Weight: 1025.83 g/mol
• Exact Mass: 1025.19
• IUPAC Name: platinum(2+);3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid
• SMILES: O=C(O)CCC1=C(CC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(CC(=O)O)c5CCC(=O)O)c(CC(=O)O)c4CCC(=O)O)C(CC(=O)O)=C3CCC(=O)O.[Pt+2]
• InChI: InChI=1S/C40H38N4O16.Pt/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29;/h13-16,41-42H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60);/q;+2/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-
• InChIKey: FBUBHBKJQAQKFH-MXOXSBADSA-N
• XLogP: 4.10
• TPSA: 355.76 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1025.83
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of platinum(2+);3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid?

The IUPAC name of platinum(2+);3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid (CID 10373820) is platinum(2+);3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid.

What is the SMILES notation for platinum(2+);3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid?

The canonical SMILES for platinum(2+);3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid is O=C(O)CCC1=C(CC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(CC(=O)O)c5CCC(=O)O)c(CC(=O)O)c4CCC(=O)O)C(CC(=O)O)=C3CCC(=O)O.[Pt+2].

What is the InChIKey of platinum(2+);3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid?

The InChIKey is FBUBHBKJQAQKFH-MXOXSBADSA-N. The full InChI is InChI=1S/C40H38N4O16.Pt/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29;/h13-16,41-42H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60);/q;+2/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-;.

What are the key properties of platinum(2+);3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid?

platinum(2+);3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid has a molecular weight of 1025.83 g/mol, XLogP of 4.10, 20 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid is sourced from PubChem (CID 10373820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).