(2R,3R,4R,5S)-5-[10,20-bis(4-fluorophenyl)-15-[(1S,2R,3R,4R)-4-hydroxy-1,2,3,5-tetramethoxypentyl]-21,22-dihydroporphyrin-5-yl]-1,3,4,5-tetramethoxypentan-2-ol

C50H56F2N4O10 — CID 10079454

IUPAC(2R,3R,4R,5S)-5-[10,20-bis(4-fluorophenyl)-15-[(1S,2R,3R,4R)-4-hydroxy-1,2,3,5-tetramethoxypentyl]-21,22-dihydroporphyrin-5-yl]-1,3,4,5-tetramethoxypentan-2-ol
SMILESCOC[C@@H](O)[C@@H](OC)[C@H](OC)[C@@H](OC)c1c2nc(c(-c3ccc(F)cc3)c3ccc([nH]3)c([C@H](OC)[C@@H](OC)[C@H](OC)[C@H](O)COC)c3ccc([nH]3)c(-c3ccc(F)cc3)c3nc1C=C3)C=C2
InChIInChI=1S/C50H56F2N4O10/c1-59-25-39(57)45(61-3)49(65-7)47(63-5)43-35-21-17-31(53-35)41(27-9-13-29(51)14-10-27)33-19-23-37(55-33)44(48(64-6)50(66-8)46(62-4)40(58)26-60-2)38-24-20-34(56-38)42(32-18-22-36(43)54-32)28-11-15-30(52)16-12-28/h9-24,39-40,45-50,53-54,57-58H,25-26H2,1-8H3/b41-31-,41-33-,42-32-,42-34-,43-35+,43-36+,44-37+,44-38+/t39-,40-,45-,46-,47+,48+,49+,50+/m1/s1
InChIKeyQFYYXADMUNRIQA-UCCCYNOCSA-N
MW911.01 g/mol
LogP7.72
Rot. Bonds20

About (2R,3R,4R,5S)-5-[10,20-bis(4-fluorophenyl)-15-[(1S,2R,3R,4R)-4-hydroxy-1,2,3,5-tetramethoxypentyl]-21,22-dihydroporphyrin-5-yl]-1,3,4,5-tetramethoxypentan-2-ol

(2R,3R,4R,5S)-5-[10,20-bis(4-fluorophenyl)-15-[(1S,2R,3R,4R)-4-hydroxy-1,2,3,5-tetramethoxypentyl]-21,22-dihydroporphyrin-5-yl]-1,3,4,5-tetramethoxypentan-2-ol (PubChem CID 10079454) has the molecular formula C50H56F2N4O10 and a molecular weight of 911.01 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-[10,20-bis(4-fluorophenyl)-15-[(1S,2R,3R,4R)-4-hydroxy-1,2,3,5-tetramethoxypentyl]-21,22-dihydroporphyrin-5-yl]-1,3,4,5-tetramethoxypentan-2-ol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-[10,20-bis(4-fluorophenyl)-15-[(1S,2R,3R,4R)-4-hydroxy-1,2,3,5-tetramethoxypentyl]-21,22-dihydroporphyrin-5-yl]-1,3,4,5-tetramethoxypentan-2-ol
PubChem CID10079454
Molecular FormulaC50H56F2N4O10
Molecular Weight911.01 g/mol
Exact Mass910.40
IUPAC Name(2R,3R,4R,5S)-5-[10,20-bis(4-fluorophenyl)-15-[(1S,2R,3R,4R)-4-hydroxy-1,2,3,5-tetramethoxypentyl]-21,22-dihydroporphyrin-5-yl]-1,3,4,5-tetramethoxypentan-2-ol
SMILESCOC[C@@H](O)[C@@H](OC)[C@H](OC)[C@@H](OC)c1c2nc(c(-c3ccc(F)cc3)c3ccc([nH]3)c([C@H](OC)[C@@H](OC)[C@H](OC)[C@H](O)COC)c3ccc([nH]3)c(-c3ccc(F)cc3)c3nc1C=C3)C=C2
InChIInChI=1S/C50H56F2N4O10/c1-59-25-39(57)45(61-3)49(65-7)47(63-5)43-35-21-17-31(53-35)41(27-9-13-29(51)14-10-27)33-19-23-37(55-33)44(48(64-6)50(66-8)46(62-4)40(58)26-60-2)38-24-20-34(56-38)42(32-18-22-36(43)54-32)28-11-15-30(52)16-12-28/h9-24,39-40,45-50,53-54,57-58H,25-26H2,1-8H3/b41-31-,41-33-,42-32-,42-34-,43-35+,43-36+,44-37+,44-38+/t39-,40-,45-,46-,47+,48+,49+,50+/m1/s1
InChIKeyQFYYXADMUNRIQA-UCCCYNOCSA-N
XLogP7.72
TPSA171.66 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500911.01
LogP ≤ 57.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze (2R,3R,4R,5S)-5-[10,20-bis(4-fluorophenyl)-15-[(1S,2R,3R,4R)-4-hydroxy-1,2,3,5-tetramethoxypentyl]-21,22-dihydroporphyrin-5-yl]-1,3,4,5-tetramethoxypentan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-[10,20-bis(4-fluorophenyl)-15-[(1S,2R,3R,4R)-4-hydroxy-1,2,3,5-tetramethoxypentyl]-21,22-dihydroporphyrin-5-yl]-1,3,4,5-tetramethoxypentan-2-ol?
The IUPAC name of (2R,3R,4R,5S)-5-[10,20-bis(4-fluorophenyl)-15-[(1S,2R,3R,4R)-4-hydroxy-1,2,3,5-tetramethoxypentyl]-21,22-dihydroporphyrin-5-yl]-1,3,4,5-tetramethoxypentan-2-ol (CID 10079454) is (2R,3R,4R,5S)-5-[10,20-bis(4-fluorophenyl)-15-[(1S,2R,3R,4R)-4-hydroxy-1,2,3,5-tetramethoxypentyl]-21,22-dihydroporphyrin-5-yl]-1,3,4,5-tetramethoxypentan-2-ol.
What is the SMILES notation for (2R,3R,4R,5S)-5-[10,20-bis(4-fluorophenyl)-15-[(1S,2R,3R,4R)-4-hydroxy-1,2,3,5-tetramethoxypentyl]-21,22-dihydroporphyrin-5-yl]-1,3,4,5-tetramethoxypentan-2-ol?
The canonical SMILES for (2R,3R,4R,5S)-5-[10,20-bis(4-fluorophenyl)-15-[(1S,2R,3R,4R)-4-hydroxy-1,2,3,5-tetramethoxypentyl]-21,22-dihydroporphyrin-5-yl]-1,3,4,5-tetramethoxypentan-2-ol is COC[C@@H](O)[C@@H](OC)[C@H](OC)[C@@H](OC)c1c2nc(c(-c3ccc(F)cc3)c3ccc([nH]3)c([C@H](OC)[C@@H](OC)[C@H](OC)[C@H](O)COC)c3ccc([nH]3)c(-c3ccc(F)cc3)c3nc1C=C3)C=C2.
What is the InChIKey of (2R,3R,4R,5S)-5-[10,20-bis(4-fluorophenyl)-15-[(1S,2R,3R,4R)-4-hydroxy-1,2,3,5-tetramethoxypentyl]-21,22-dihydroporphyrin-5-yl]-1,3,4,5-tetramethoxypentan-2-ol?
The InChIKey is QFYYXADMUNRIQA-UCCCYNOCSA-N. The full InChI is InChI=1S/C50H56F2N4O10/c1-59-25-39(57)45(61-3)49(65-7)47(63-5)43-35-21-17-31(53-35)41(27-9-13-29(51)14-10-27)33-19-23-37(55-33)44(48(64-6)50(66-8)46(62-4)40(58)26-60-2)38-24-20-34(56-38)42(32-18-22-36(43)54-32)28-11-15-30(52)16-12-28/h9-24,39-40,45-50,53-54,57-58H,25-26H2,1-8H3/b41-31-,41-33-,42-32-,42-34-,43-35+,43-36+,44-37+,44-38+/t39-,40-,45-,46-,47+,48+,49+,50+/m1/s1.
What are the key properties of (2R,3R,4R,5S)-5-[10,20-bis(4-fluorophenyl)-15-[(1S,2R,3R,4R)-4-hydroxy-1,2,3,5-tetramethoxypentyl]-21,22-dihydroporphyrin-5-yl]-1,3,4,5-tetramethoxypentan-2-ol?
(2R,3R,4R,5S)-5-[10,20-bis(4-fluorophenyl)-15-[(1S,2R,3R,4R)-4-hydroxy-1,2,3,5-tetramethoxypentyl]-21,22-dihydroporphyrin-5-yl]-1,3,4,5-tetramethoxypentan-2-ol has a molecular weight of 911.01 g/mol, XLogP of 7.72, 20 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-5-[10,20-bis(4-fluorophenyl)-15-[(1S,2R,3R,4R)-4-hydroxy-1,2,3,5-tetramethoxypentyl]-21,22-dihydroporphyrin-5-yl]-1,3,4,5-tetramethoxypentan-2-ol is sourced from PubChem (CID 10079454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).