5-[[5-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,4-dihydroxypentyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[3-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-5-(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

C103H127I18N17O47 — CID 159978801

About 5-[[5-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,4-dihydroxypentyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[3-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-5-(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

5-[[5-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,4-dihydroxypentyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[3-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-5-(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide (PubChem CID 159978801) has the molecular formula C103H127I18N17O47 and a molecular weight of 4639.49 g/mol. Its IUPAC name is 5-[[5-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,4-dihydroxypentyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[3-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-5-(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 5-[[5-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,4-dihydroxypentyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[3-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-5-(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
• PubChem CID: 159978801
• Molecular Formula: C103H127I18N17O47
• Molecular Weight: 4639.49 g/mol
• Exact Mass: 4638.09
• IUPAC Name: 5-[[5-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,4-dihydroxypentyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[3-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-5-(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
• SMILES: O=CN(CC(O)C(O)CN(C=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)CCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I.O=CN(CC(O)CC(O)CN(C=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I.O=CN(CC(O)CN(C=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
• InChI: InChI=1S/C35H44I6N6O16.C35H43I6N5O16.C33H40I6N6O15/c36-24-20(32(60)42-2-16(56)8-48)26(38)30(27(39)21(24)33(61)43-3-17(57)9-49)46(12-52)6-14(54)1-15(55)7-47(13-53)31-28(40)22(34(62)44-4-18(58)10-50)25(37)23(29(31)41)35(63)45-5-19(59)11-51;36-25-21(18(57)2-1-14(53)8-47)27(38)31(28(39)22(25)33(60)42-3-15(54)9-48)45(12-51)6-19(58)20(59)7-46(13-52)32-29(40)23(34(61)43-4-16(55)10-49)26(37)24(30(32)41)35(62)44-5-17(56)11-50;34-22-18(30(57)40-1-13(52)7-46)24(36)28(25(37)19(22)31(58)41-2-14(53)8-47)44(11-50)5-17(56)6-45(12-51)29-26(38)20(32(59)42-3-15(54)9-48)23(35)21(27(29)39)33(60)43-4-16(55)10-49/h12-19,48-51,54-59H,1-11H2,(H,42,60)(H,43,61)(H,44,62)(H,45,63);12-17,19-20,47-50,53-56,58-59H,1-11H2,(H,42,60)(H,43,61)(H,44,62);11-17,46-49,52-56H,1-10H2,(H,40,57)(H,41,58)(H,42,59)(H,43,60)
• InChIKey: OFMOSWKRINGVHE-UHFFFAOYSA-N
• XLogP: -6.76
• TPSA: 1045.70 Ų
• H-Bond Donors: 40
• H-Bond Acceptors: 47
• Rotatable Bonds: 76
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4639.49
LogP ≤ 5	-6.76
H-Bond Donors ≤ 5	40
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,4-dihydroxypentyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[3-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-5-(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide?

The IUPAC name of 5-[[5-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,4-dihydroxypentyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[3-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-5-(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide (CID 159978801) is 5-[[5-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,4-dihydroxypentyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[3-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-5-(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide.

What is the SMILES notation for 5-[[5-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,4-dihydroxypentyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[3-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-5-(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide?

The canonical SMILES for 5-[[5-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,4-dihydroxypentyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[3-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-5-(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide is O=CN(CC(O)C(O)CN(C=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)CCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I.O=CN(CC(O)CC(O)CN(C=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I.O=CN(CC(O)CN(C=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I.

What is the InChIKey of 5-[[5-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,4-dihydroxypentyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[3-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-5-(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide?

The InChIKey is OFMOSWKRINGVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44I6N6O16.C35H43I6N5O16.C33H40I6N6O15/c36-24-20(32(60)42-2-16(56)8-48)26(38)30(27(39)21(24)33(61)43-3-17(57)9-49)46(12-52)6-14(54)1-15(55)7-47(13-53)31-28(40)22(34(62)44-4-18(58)10-50)25(37)23(29(31)41)35(63)45-5-19(59)11-51;36-25-21(18(57)2-1-14(53)8-47)27(38)31(28(39)22(25)33(60)42-3-15(54)9-48)45(12-51)6-19(58)20(59)7-46(13-52)32-29(40)23(34(61)43-4-16(55)10-49)26(37)24(30(32)41)35(62)44-5-17(56)11-50;34-22-18(30(57)40-1-13(52)7-46)24(36)28(25(37)19(22)31(58)41-2-14(53)8-47)44(11-50)5-17(56)6-45(12-51)29-26(38)20(32(59)42-3-15(54)9-48)23(35)21(27(29)39)33(60)43-4-16(55)10-49/h12-19,48-51,54-59H,1-11H2,(H,42,60)(H,43,61)(H,44,62)(H,45,63);12-17,19-20,47-50,53-56,58-59H,1-11H2,(H,42,60)(H,43,61)(H,44,62);11-17,46-49,52-56H,1-10H2,(H,40,57)(H,41,58)(H,42,59)(H,43,60).

What are the key properties of 5-[[5-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,4-dihydroxypentyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[3-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-5-(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide?

5-[[5-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,4-dihydroxypentyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[3-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-5-(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide has a molecular weight of 4639.49 g/mol, XLogP of -6.76, 76 rotatable bonds, 40 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,4-dihydroxypentyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[3-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-5-(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide is sourced from PubChem (CID 159978801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).