bis((Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid);molecular iodine;praseodymium;triiodide

C48H62F2I5O8Pr- — CID 161029535

IUPACbis((Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid);molecular iodine;praseodymium;triiodide
SMILESII.I[I-]I.O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)C2Cc3ccccc3C2)[C@@H](F)C[C@@H]1O.O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)C2Cc3ccccc3C2)[C@@H](F)C[C@@H]1O.[Pr]
InChIInChI=1S/2C24H31FO4.I3.I2.Pr/c2*25-21-15-23(27)20(9-3-1-2-4-10-24(28)29)19(21)11-12-22(26)18-13-16-7-5-6-8-17(16)14-18;1-3-2;1-2;/h2*1,3,5-8,11-12,18-23,26-27H,2,4,9-10,13-15H2,(H,28,29);;;/q;;-1;;/b2*3-1-,12-11+;;;/t2*19-,20-,21+,22+,23+;;;/m11.../s1
InChIKeyVOWMUIXUKUDTRX-XAUNYGFHSA-N
MW1580.44 g/mol
LogP8.26
Rot. Bonds18

About bis((Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid);molecular iodine;praseodymium;triiodide

bis((Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid);molecular iodine;praseodymium;triiodide (PubChem CID 161029535) has the molecular formula C48H62F2I5O8Pr- and a molecular weight of 1580.44 g/mol. Its IUPAC name is bis((Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid);molecular iodine;praseodymium;triiodide.

Molecular Properties

Compound Namebis((Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid);molecular iodine;praseodymium;triiodide
PubChem CID161029535
Molecular FormulaC48H62F2I5O8Pr-
Molecular Weight1580.44 g/mol
Exact Mass1579.87
IUPAC Namebis((Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid);molecular iodine;praseodymium;triiodide
SMILESII.I[I-]I.O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)C2Cc3ccccc3C2)[C@@H](F)C[C@@H]1O.O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)C2Cc3ccccc3C2)[C@@H](F)C[C@@H]1O.[Pr]
InChIInChI=1S/2C24H31FO4.I3.I2.Pr/c2*25-21-15-23(27)20(9-3-1-2-4-10-24(28)29)19(21)11-12-22(26)18-13-16-7-5-6-8-17(16)14-18;1-3-2;1-2;/h2*1,3,5-8,11-12,18-23,26-27H,2,4,9-10,13-15H2,(H,28,29);;;/q;;-1;;/b2*3-1-,12-11+;;;/t2*19-,20-,21+,22+,23+;;;/m11.../s1
InChIKeyVOWMUIXUKUDTRX-XAUNYGFHSA-N
XLogP8.26
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001580.44
LogP ≤ 58.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis((Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid);molecular iodine;praseodymium;triiodide with MolForge

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Related Compounds

3-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol
CID 22951141
(Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-3-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]prop-1-enyl]cyclopentyl]hept-5-enoic acid
CID 71449046
7-[(1R,2R,3R,5S)-2-[(3R)-3-[(2R)-4H-1,3-benzodioxin-2-yl]-3-hydroxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
CID 57011257
(Z)-7-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]cyclopentyl]hept-5-enoic acid
CID 131880784
(Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic acid
CID 91885972
(Z)-7-[(1R,3R,5S)-2-[(E,3R)-4-(2-fluorophenyl)sulfanyl-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
CID 70901928
7-[(1R,2R,3R,5S)-2-[(3S)-5-(2-fluorophenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
CID 91224090
7-[(1R,2R,3R,5R)-2-[(8S)-3,8-dihydroxynon-1-enyl]-5-fluoro-3-hydroxycyclopentyl]hept-5-enoic acid
CID 91362064
(Z)-7-[(2R)-2-[(E,3R)-4-(4-chlorophenyl)sulfanyl-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
CID 6434263
(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenoxypent-1-enyl]cyclopentyl]hept-5-enoic acid
CID 171042738
(Z)-7-[(1R,2R,3R,5S)-2-[(E)-5-(2-fluorophenyl)-3-hydroxypent-1-en-4-ynyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
CID 70615118
(E)-7-[5-hydroxy-3-(hydroxyamino)-2-[(E)-3-hydroxy-4-phenylsulfanylbut-1-enyl]cyclopentyl]hept-5-enoic acid
CID 22970239

Frequently Asked Questions

What is the IUPAC name of bis((Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid);molecular iodine;praseodymium;triiodide?
The IUPAC name of bis((Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid);molecular iodine;praseodymium;triiodide (CID 161029535) is bis((Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid);molecular iodine;praseodymium;triiodide.
What is the SMILES notation for bis((Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid);molecular iodine;praseodymium;triiodide?
The canonical SMILES for bis((Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid);molecular iodine;praseodymium;triiodide is II.I[I-]I.O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)C2Cc3ccccc3C2)[C@@H](F)C[C@@H]1O.O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)C2Cc3ccccc3C2)[C@@H](F)C[C@@H]1O.[Pr].
What is the InChIKey of bis((Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid);molecular iodine;praseodymium;triiodide?
The InChIKey is VOWMUIXUKUDTRX-XAUNYGFHSA-N. The full InChI is InChI=1S/2C24H31FO4.I3.I2.Pr/c2*25-21-15-23(27)20(9-3-1-2-4-10-24(28)29)19(21)11-12-22(26)18-13-16-7-5-6-8-17(16)14-18;1-3-2;1-2;/h2*1,3,5-8,11-12,18-23,26-27H,2,4,9-10,13-15H2,(H,28,29);;;/q;;-1;;/b2*3-1-,12-11+;;;/t2*19-,20-,21+,22+,23+;;;/m11.../s1.
What are the key properties of bis((Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid);molecular iodine;praseodymium;triiodide?
bis((Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid);molecular iodine;praseodymium;triiodide has a molecular weight of 1580.44 g/mol, XLogP of 8.26, 18 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid);molecular iodine;praseodymium;triiodide is sourced from PubChem (CID 161029535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).