potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoate;6-(triphenyl-λ5-phosphanylidene)hexanoate

C144H224KO30P — CID 159571186

IUPACpotassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoate;6-(triphenyl-λ5-phosphanylidene)hexanoate
SMILESCCCCCCCC(=O)CC[C@H]1[C@H](OC(=O)c2ccccc2)CC2OC(=O)C[C@@H]21.CCCCCCCC(CC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O)(OC)OC.CCCCCCCC(CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O)(OC)OC.CCCCCCCC(CC[C@H]1[C@H](O)CC2OC(O)C[C@@H]21)(OC)OC.CCCCCCCC(CC[C@H]1[C@H](OC(=O)c2ccccc2)CC2OC(=O)C[C@@H]21)(OC)OC.O=C([O-])CCCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1.[K+]
InChIInChI=1S/C27H50O6.C26H38O6.C24H44O6.C24H32O5.C24H25O2P.C19H36O5.K/c1-6-7-8-11-14-18-27(31-4,32-5)19-17-23-22(24(28)20-25(23)29)15-12-9-10-13-16-26(30)33-21(2)3;1-4-5-6-7-11-15-26(29-2,30-3)16-14-20-21-17-24(27)31-23(21)18-22(20)32-25(28)19-12-9-8-10-13-19;1-4-5-6-9-12-16-24(29-2,30-3)17-15-20-19(21(25)18-22(20)26)13-10-7-8-11-14-23(27)28;1-2-3-4-5-9-12-18(25)13-14-19-20-15-23(26)28-22(20)16-21(19)29-24(27)17-10-7-6-8-11-17;25-24(26)19-11-4-12-20-27(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23;1-4-5-6-7-8-10-19(22-2,23-3)11-9-14-15-12-18(21)24-17(15)13-16(14)20;/h9,12,21-25,28-29H,6-8,10-11,13-20H2,1-5H3;8-10,12-13,20-23H,4-7,11,14-18H2,1-3H3;7,10,19-22,25-26H,4-6,8-9,11-18H2,1-3H3,(H,27,28);6-8,10-11,19-22H,2-5,9,12-16H2,1H3;1-3,5-10,13-18,20H,4,11-12,19H2,(H,25,26);14-18,20-21H,4-13H2,1-3H3;/q;;;;;;+1/p-1/b12-9-;;10-7-;;;;/t22-,23-,24+,25-;20-,21-,22-,23?;19-,20-,21+,22-;19-,20-,21-,22?;;14-,15-,16-,17?,18?;/m1111.1./s1
InChIKeyMHVMQZAMEJRQGK-GXFXVSKBSA-M
MW2505.42 g/mol
LogP23.70
Rot. Bonds78

About potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoate;6-(triphenyl-λ5-phosphanylidene)hexanoate

potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoate;6-(triphenyl-λ5-phosphanylidene)hexanoate (PubChem CID 159571186) has the molecular formula C144H224KO30P and a molecular weight of 2505.42 g/mol. Its IUPAC name is potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoate;6-(triphenyl-λ5-phosphanylidene)hexanoate.

Molecular Properties

Compound Namepotassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoate;6-(triphenyl-λ5-phosphanylidene)hexanoate
PubChem CID159571186
Molecular FormulaC144H224KO30P
Molecular Weight2505.42 g/mol
Exact Mass2503.54
IUPAC Namepotassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoate;6-(triphenyl-λ5-phosphanylidene)hexanoate
SMILESCCCCCCCC(=O)CC[C@H]1[C@H](OC(=O)c2ccccc2)CC2OC(=O)C[C@@H]21.CCCCCCCC(CC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O)(OC)OC.CCCCCCCC(CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O)(OC)OC.CCCCCCCC(CC[C@H]1[C@H](O)CC2OC(O)C[C@@H]21)(OC)OC.CCCCCCCC(CC[C@H]1[C@H](OC(=O)c2ccccc2)CC2OC(=O)C[C@@H]21)(OC)OC.O=C([O-])CCCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1.[K+]
InChIInChI=1S/C27H50O6.C26H38O6.C24H44O6.C24H32O5.C24H25O2P.C19H36O5.K/c1-6-7-8-11-14-18-27(31-4,32-5)19-17-23-22(24(28)20-25(23)29)15-12-9-10-13-16-26(30)33-21(2)3;1-4-5-6-7-11-15-26(29-2,30-3)16-14-20-21-17-24(27)31-23(21)18-22(20)32-25(28)19-12-9-8-10-13-19;1-4-5-6-9-12-16-24(29-2,30-3)17-15-20-19(21(25)18-22(20)26)13-10-7-8-11-14-23(27)28;1-2-3-4-5-9-12-18(25)13-14-19-20-15-23(26)28-22(20)16-21(19)29-24(27)17-10-7-6-8-11-17;25-24(26)19-11-4-12-20-27(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23;1-4-5-6-7-8-10-19(22-2,23-3)11-9-14-15-12-18(21)24-17(15)13-16(14)20;/h9,12,21-25,28-29H,6-8,10-11,13-20H2,1-5H3;8-10,12-13,20-23H,4-7,11,14-18H2,1-3H3;7,10,19-22,25-26H,4-6,8-9,11-18H2,1-3H3,(H,27,28);6-8,10-11,19-22H,2-5,9,12-16H2,1H3;1-3,5-10,13-18,20H,4,11-12,19H2,(H,25,26);14-18,20-21H,4-13H2,1-3H3;/q;;;;;;+1/p-1/b12-9-;;10-7-;;;;/t22-,23-,24+,25-;20-,21-,22-,23?;19-,20-,21+,22-;19-,20-,21-,22?;;14-,15-,16-,17?,18?;/m1111.1./s1
InChIKeyMHVMQZAMEJRQGK-GXFXVSKBSA-M
XLogP23.70
TPSA430.45 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds78
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002505.42
LogP ≤ 523.70
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoate;6-(triphenyl-λ5-phosphanylidene)hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxyoctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;(1S,3R,4R,5R)-4-(3,3-dimethoxyoctyl)-5-[(Z)-hept-2-enyl]cyclopentane-1,3-diol;6-(triphenyl-λ5-phosphanylidene)hexanoate
CID 160833613
propan-2-yl 9-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]non-7-enoate
CID 90962047
propan-2-yl (E)-9-[3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]non-7-enoate
CID 23382467
propan-2-yl 11-[(2R)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]undec-9-enoate
CID 91303406
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
CID 158452208
(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid
CID 158287681
propan-2-yl 7-[5-hydroxy-3-methoxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate
CID 123746216
(E)-7-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid
CID 5354032
(Z)-9-[(1R,2R,3R,5R)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]non-7-enoic acid
CID 70148677
[(4R)-4-(4-methyl-3-oxooctyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
CID 59963427
(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;methane
CID 162168906
[4-(4,4-difluoro-3-oxooctyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
CID 20672793

Frequently Asked Questions

What is the IUPAC name of potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoate;6-(triphenyl-λ5-phosphanylidene)hexanoate?
The IUPAC name of potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoate;6-(triphenyl-λ5-phosphanylidene)hexanoate (CID 159571186) is potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoate;6-(triphenyl-λ5-phosphanylidene)hexanoate.
What is the SMILES notation for potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoate;6-(triphenyl-λ5-phosphanylidene)hexanoate?
The canonical SMILES for potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoate;6-(triphenyl-λ5-phosphanylidene)hexanoate is CCCCCCCC(=O)CC[C@H]1[C@H](OC(=O)c2ccccc2)CC2OC(=O)C[C@@H]21.CCCCCCCC(CC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O)(OC)OC.CCCCCCCC(CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O)(OC)OC.CCCCCCCC(CC[C@H]1[C@H](O)CC2OC(O)C[C@@H]21)(OC)OC.CCCCCCCC(CC[C@H]1[C@H](OC(=O)c2ccccc2)CC2OC(=O)C[C@@H]21)(OC)OC.O=C([O-])CCCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1.[K+].
What is the InChIKey of potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoate;6-(triphenyl-λ5-phosphanylidene)hexanoate?
The InChIKey is MHVMQZAMEJRQGK-GXFXVSKBSA-M. The full InChI is InChI=1S/C27H50O6.C26H38O6.C24H44O6.C24H32O5.C24H25O2P.C19H36O5.K/c1-6-7-8-11-14-18-27(31-4,32-5)19-17-23-22(24(28)20-25(23)29)15-12-9-10-13-16-26(30)33-21(2)3;1-4-5-6-7-11-15-26(29-2,30-3)16-14-20-21-17-24(27)31-23(21)18-22(20)32-25(28)19-12-9-8-10-13-19;1-4-5-6-9-12-16-24(29-2,30-3)17-15-20-19(21(25)18-22(20)26)13-10-7-8-11-14-23(27)28;1-2-3-4-5-9-12-18(25)13-14-19-20-15-23(26)28-22(20)16-21(19)29-24(27)17-10-7-6-8-11-17;25-24(26)19-11-4-12-20-27(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23;1-4-5-6-7-8-10-19(22-2,23-3)11-9-14-15-12-18(21)24-17(15)13-16(14)20;/h9,12,21-25,28-29H,6-8,10-11,13-20H2,1-5H3;8-10,12-13,20-23H,4-7,11,14-18H2,1-3H3;7,10,19-22,25-26H,4-6,8-9,11-18H2,1-3H3,(H,27,28);6-8,10-11,19-22H,2-5,9,12-16H2,1H3;1-3,5-10,13-18,20H,4,11-12,19H2,(H,25,26);14-18,20-21H,4-13H2,1-3H3;/q;;;;;;+1/p-1/b12-9-;;10-7-;;;;/t22-,23-,24+,25-;20-,21-,22-,23?;19-,20-,21+,22-;19-,20-,21-,22?;;14-,15-,16-,17?,18?;/m1111.1./s1.
What are the key properties of potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoate;6-(triphenyl-λ5-phosphanylidene)hexanoate?
potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoate;6-(triphenyl-λ5-phosphanylidene)hexanoate has a molecular weight of 2505.42 g/mol, XLogP of 23.70, 78 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoate;6-(triphenyl-λ5-phosphanylidene)hexanoate is sourced from PubChem (CID 159571186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).