(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[3-[4-[[2,3,5,6-tetrafluoro-4-[10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]anilino]methyl]triazol-1-yl]propyl]triazol-4-yl]methoxy]oxane-3,4,5-triol

C59H49F4N11O9 — CID 137265193

About (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[3-[4-[[2,3,5,6-tetrafluoro-4-[10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]anilino]methyl]triazol-1-yl]propyl]triazol-4-yl]methoxy]oxane-3,4,5-triol

(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[3-[4-[[2,3,5,6-tetrafluoro-4-[10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]anilino]methyl]triazol-1-yl]propyl]triazol-4-yl]methoxy]oxane-3,4,5-triol (PubChem CID 137265193) has the molecular formula C59H49F4N11O9 and a molecular weight of 1132.10 g/mol. Its IUPAC name is (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[3-[4-[[2,3,5,6-tetrafluoro-4-[10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]anilino]methyl]triazol-1-yl]propyl]triazol-4-yl]methoxy]oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[3-[4-[[2,3,5,6-tetrafluoro-4-[10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]anilino]methyl]triazol-1-yl]propyl]triazol-4-yl]methoxy]oxane-3,4,5-triol
• PubChem CID: 137265193
• Molecular Formula: C59H49F4N11O9
• Molecular Weight: 1132.10 g/mol
• Exact Mass: 1131.37
• IUPAC Name: (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[3-[4-[[2,3,5,6-tetrafluoro-4-[10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]anilino]methyl]triazol-1-yl]propyl]triazol-4-yl]methoxy]oxane-3,4,5-triol
• SMILES: OC[C@H]1O[C@H](OCc2cn(CCCn3cc(CNc4c(F)c(F)c(-c5c6nc(c(-c7cccc(O)c7)c7ccc([nH]7)c(-c7cccc(O)c7)c7nc(c(-c8cccc(O)c8)c8ccc5[nH]8)C=C7)C=C6)c(F)c4F)nn3)nn2)[C@@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C59H49F4N11O9/c60-51-50(52(61)54(63)55(53(51)62)64-24-32-25-73(71-69-32)19-4-20-74-26-33(70-72-74)28-82-59-58(81)57(80)56(79)45(27-75)83-59)49-43-17-15-41(67-43)47(30-6-2-9-35(77)22-30)39-13-11-37(65-39)46(29-5-1-8-34(76)21-29)38-12-14-40(66-38)48(42-16-18-44(49)68-42)31-7-3-10-36(78)23-31/h1-3,5-18,21-23,25-26,45,56-59,64-65,68,75-81H,4,19-20,24,27-28H2/b46-37-,46-38-,47-39-,47-41-,48-40-,48-42-,49-43+,49-44+/t45-,56-,57+,58+,59+/m1/s1
• InChIKey: LIDLBBLLBLRQPX-MEORHOCJSA-N
• XLogP: 8.20
• TPSA: 290.88 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1132.10
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[3-[4-[[2,3,5,6-tetrafluoro-4-[10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]anilino]methyl]triazol-1-yl]propyl]triazol-4-yl]methoxy]oxane-3,4,5-triol?

The IUPAC name of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[3-[4-[[2,3,5,6-tetrafluoro-4-[10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]anilino]methyl]triazol-1-yl]propyl]triazol-4-yl]methoxy]oxane-3,4,5-triol (CID 137265193) is (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[3-[4-[[2,3,5,6-tetrafluoro-4-[10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]anilino]methyl]triazol-1-yl]propyl]triazol-4-yl]methoxy]oxane-3,4,5-triol.

What is the SMILES notation for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[3-[4-[[2,3,5,6-tetrafluoro-4-[10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]anilino]methyl]triazol-1-yl]propyl]triazol-4-yl]methoxy]oxane-3,4,5-triol?

The canonical SMILES for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[3-[4-[[2,3,5,6-tetrafluoro-4-[10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]anilino]methyl]triazol-1-yl]propyl]triazol-4-yl]methoxy]oxane-3,4,5-triol is OC[C@H]1O[C@H](OCc2cn(CCCn3cc(CNc4c(F)c(F)c(-c5c6nc(c(-c7cccc(O)c7)c7ccc([nH]7)c(-c7cccc(O)c7)c7nc(c(-c8cccc(O)c8)c8ccc5[nH]8)C=C7)C=C6)c(F)c4F)nn3)nn2)[C@@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[3-[4-[[2,3,5,6-tetrafluoro-4-[10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]anilino]methyl]triazol-1-yl]propyl]triazol-4-yl]methoxy]oxane-3,4,5-triol?

The InChIKey is LIDLBBLLBLRQPX-MEORHOCJSA-N. The full InChI is InChI=1S/C59H49F4N11O9/c60-51-50(52(61)54(63)55(53(51)62)64-24-32-25-73(71-69-32)19-4-20-74-26-33(70-72-74)28-82-59-58(81)57(80)56(79)45(27-75)83-59)49-43-17-15-41(67-43)47(30-6-2-9-35(77)22-30)39-13-11-37(65-39)46(29-5-1-8-34(76)21-29)38-12-14-40(66-38)48(42-16-18-44(49)68-42)31-7-3-10-36(78)23-31/h1-3,5-18,21-23,25-26,45,56-59,64-65,68,75-81H,4,19-20,24,27-28H2/b46-37-,46-38-,47-39-,47-41-,48-40-,48-42-,49-43+,49-44+/t45-,56-,57+,58+,59+/m1/s1.

What are the key properties of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[3-[4-[[2,3,5,6-tetrafluoro-4-[10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]anilino]methyl]triazol-1-yl]propyl]triazol-4-yl]methoxy]oxane-3,4,5-triol?

(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[3-[4-[[2,3,5,6-tetrafluoro-4-[10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]anilino]methyl]triazol-1-yl]propyl]triazol-4-yl]methoxy]oxane-3,4,5-triol has a molecular weight of 1132.10 g/mol, XLogP of 8.20, 15 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[3-[4-[[2,3,5,6-tetrafluoro-4-[10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]anilino]methyl]triazol-1-yl]propyl]triazol-4-yl]methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 137265193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).