(Z)-7-[(1R,2R)-5-hydroxy-3-phosphanyloxy-2-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoic acid;trans-(2R,3R)-2-[(Z)-hept-2-enyl]-4-phosphanyloxy-3-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentan-1-ol

C46H68F6O10P4 — CID 91463705

IUPAC(Z)-7-[(1R,2R)-5-hydroxy-3-phosphanyloxy-2-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoic acid;trans-(2R,3R)-2-[(Z)-hept-2-enyl]-4-phosphanyloxy-3-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentan-1-ol
SMILESCCCC/C=C\C[C@H]1C(O)CC(OP)[C@@H]1CCC(COc1cccc(C(F)(F)F)c1)OP.O=C(O)CCC/C=C\C[C@H]1C(O)CC(OP)[C@@H]1CCC(COc1cccc(C(F)(F)F)c1)OP
InChIInChI=1S/C23H33F3O6P2.C23H35F3O4P2/c24-23(25,26)15-6-5-7-16(12-15)30-14-17(31-33)10-11-19-18(20(27)13-21(19)32-34)8-3-1-2-4-9-22(28)29;1-2-3-4-5-6-10-19-20(22(30-32)14-21(19)27)12-11-18(29-31)15-28-17-9-7-8-16(13-17)23(24,25)26/h1,3,5-7,12,17-21,27H,2,4,8-11,13-14,33-34H2,(H,28,29);5-9,13,18-22,27H,2-4,10-12,14-15,31-32H2,1H3/b3-1-;6-5-/t17?,18-,19-,20?,21?;18?,19-,20-,21?,22?/m11/s1
InChIKeyMXTBVMQCWOCLQH-HGUKRNJWSA-N
MW1018.92 g/mol
LogP11.76
Rot. Bonds27

About (Z)-7-[(1R,2R)-5-hydroxy-3-phosphanyloxy-2-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoic acid;trans-(2R,3R)-2-[(Z)-hept-2-enyl]-4-phosphanyloxy-3-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentan-1-ol

(Z)-7-[(1R,2R)-5-hydroxy-3-phosphanyloxy-2-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoic acid;trans-(2R,3R)-2-[(Z)-hept-2-enyl]-4-phosphanyloxy-3-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentan-1-ol (PubChem CID 91463705) has the molecular formula C46H68F6O10P4 and a molecular weight of 1018.92 g/mol. Its IUPAC name is (Z)-7-[(1R,2R)-5-hydroxy-3-phosphanyloxy-2-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoic acid;trans-(2R,3R)-2-[(Z)-hept-2-enyl]-4-phosphanyloxy-3-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentan-1-ol.

Molecular Properties

Compound Name(Z)-7-[(1R,2R)-5-hydroxy-3-phosphanyloxy-2-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoic acid;trans-(2R,3R)-2-[(Z)-hept-2-enyl]-4-phosphanyloxy-3-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentan-1-ol
PubChem CID91463705
Molecular FormulaC46H68F6O10P4
Molecular Weight1018.92 g/mol
Exact Mass1018.37
IUPAC Name(Z)-7-[(1R,2R)-5-hydroxy-3-phosphanyloxy-2-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoic acid;trans-(2R,3R)-2-[(Z)-hept-2-enyl]-4-phosphanyloxy-3-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentan-1-ol
SMILESCCCC/C=C\C[C@H]1C(O)CC(OP)[C@@H]1CCC(COc1cccc(C(F)(F)F)c1)OP.O=C(O)CCC/C=C\C[C@H]1C(O)CC(OP)[C@@H]1CCC(COc1cccc(C(F)(F)F)c1)OP
InChIInChI=1S/C23H33F3O6P2.C23H35F3O4P2/c24-23(25,26)15-6-5-7-16(12-15)30-14-17(31-33)10-11-19-18(20(27)13-21(19)32-34)8-3-1-2-4-9-22(28)29;1-2-3-4-5-6-10-19-20(22(30-32)14-21(19)27)12-11-18(29-31)15-28-17-9-7-8-16(13-17)23(24,25)26/h1,3,5-7,12,17-21,27H,2,4,8-11,13-14,33-34H2,(H,28,29);5-9,13,18-22,27H,2-4,10-12,14-15,31-32H2,1H3/b3-1-;6-5-/t17?,18-,19-,20?,21?;18?,19-,20-,21?,22?/m11/s1
InChIKeyMXTBVMQCWOCLQH-HGUKRNJWSA-N
XLogP11.76
TPSA133.14 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds27
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001018.92
LogP ≤ 511.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (Z)-7-[(1R,2R)-5-hydroxy-3-phosphanyloxy-2-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoic acid;trans-(2R,3R)-2-[(Z)-hept-2-enyl]-4-phosphanyloxy-3-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentan-1-ol with MolForge

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Related Compounds

7-[(1R,2R)-2-[4-(3-chlorophenoxy)-3-phosphanyloxybutyl]-5-hydroxy-3-phosphanyloxycyclopentyl]hept-5-enoic acid
CID 91238946
7-[3,5-dihydroxy-2-[3-oxo-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoic acid
CID 123389055
7-[3,5-dihydroxy-2-[3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid;ethane
CID 53394216
7-[(2R)-3,5-dihydroxy-2-[3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid
CID 123504772
7-[(1R,2R,3R,5S)-2-[(3S)-3-fluoro-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
CID 91265219
(Z)-7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid
CID 6436637
(E)-7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid
CID 124780932
7-[5-hydroxy-3-(oxan-2-yloxy)-2-[2-(oxan-2-yloxy)-3-[3-(trifluoromethyl)phenoxy]propoxy]cyclopentyl]hept-5-enoic acid
CID 70389670
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-phosphanyloxyhexyl]cyclopentyl]hept-5-enoic acid
CID 90717045
(4S)-4-[(Z)-hept-2-enyl]-5-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]sulfanylcyclopentane-1,3-diol
CID 59930514
CID 59963400
CID 59963400
(Z)-7-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid
CID 59905097

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2R)-5-hydroxy-3-phosphanyloxy-2-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoic acid;trans-(2R,3R)-2-[(Z)-hept-2-enyl]-4-phosphanyloxy-3-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentan-1-ol?
The IUPAC name of (Z)-7-[(1R,2R)-5-hydroxy-3-phosphanyloxy-2-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoic acid;trans-(2R,3R)-2-[(Z)-hept-2-enyl]-4-phosphanyloxy-3-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentan-1-ol (CID 91463705) is (Z)-7-[(1R,2R)-5-hydroxy-3-phosphanyloxy-2-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoic acid;trans-(2R,3R)-2-[(Z)-hept-2-enyl]-4-phosphanyloxy-3-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentan-1-ol.
What is the SMILES notation for (Z)-7-[(1R,2R)-5-hydroxy-3-phosphanyloxy-2-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoic acid;trans-(2R,3R)-2-[(Z)-hept-2-enyl]-4-phosphanyloxy-3-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentan-1-ol?
The canonical SMILES for (Z)-7-[(1R,2R)-5-hydroxy-3-phosphanyloxy-2-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoic acid;trans-(2R,3R)-2-[(Z)-hept-2-enyl]-4-phosphanyloxy-3-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentan-1-ol is CCCC/C=C\C[C@H]1C(O)CC(OP)[C@@H]1CCC(COc1cccc(C(F)(F)F)c1)OP.O=C(O)CCC/C=C\C[C@H]1C(O)CC(OP)[C@@H]1CCC(COc1cccc(C(F)(F)F)c1)OP.
What is the InChIKey of (Z)-7-[(1R,2R)-5-hydroxy-3-phosphanyloxy-2-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoic acid;trans-(2R,3R)-2-[(Z)-hept-2-enyl]-4-phosphanyloxy-3-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentan-1-ol?
The InChIKey is MXTBVMQCWOCLQH-HGUKRNJWSA-N. The full InChI is InChI=1S/C23H33F3O6P2.C23H35F3O4P2/c24-23(25,26)15-6-5-7-16(12-15)30-14-17(31-33)10-11-19-18(20(27)13-21(19)32-34)8-3-1-2-4-9-22(28)29;1-2-3-4-5-6-10-19-20(22(30-32)14-21(19)27)12-11-18(29-31)15-28-17-9-7-8-16(13-17)23(24,25)26/h1,3,5-7,12,17-21,27H,2,4,8-11,13-14,33-34H2,(H,28,29);5-9,13,18-22,27H,2-4,10-12,14-15,31-32H2,1H3/b3-1-;6-5-/t17?,18-,19-,20?,21?;18?,19-,20-,21?,22?/m11/s1.
What are the key properties of (Z)-7-[(1R,2R)-5-hydroxy-3-phosphanyloxy-2-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoic acid;trans-(2R,3R)-2-[(Z)-hept-2-enyl]-4-phosphanyloxy-3-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentan-1-ol?
(Z)-7-[(1R,2R)-5-hydroxy-3-phosphanyloxy-2-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoic acid;trans-(2R,3R)-2-[(Z)-hept-2-enyl]-4-phosphanyloxy-3-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentan-1-ol has a molecular weight of 1018.92 g/mol, XLogP of 11.76, 27 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,2R)-5-hydroxy-3-phosphanyloxy-2-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoic acid;trans-(2R,3R)-2-[(Z)-hept-2-enyl]-4-phosphanyloxy-3-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentan-1-ol is sourced from PubChem (CID 91463705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).