acetaldehyde;5-amino-2-hydroxybenzoic acid;ethane;(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaen-2-one;2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride;1-iodoethyl octanoate;octanoic acid;octanoyl chloride;1-octanoyloxyethyl 2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoate

C162H246Cl2IN3O23 — CID 159892399

IUPACacetaldehyde;5-amino-2-hydroxybenzoic acid;ethane;(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaen-2-one;2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride;1-iodoethyl octanoate;octanoic acid;octanoyl chloride;1-octanoyloxyethyl 2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoate
SMILESCC.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Cl.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(O)c(C(=O)O)c1.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(O)c(C(=O)OC(C)OC(=O)CCCCCCC)c1.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(C)=O.CC=O.CCCCCCCC(=O)Cl.CCCCCCCC(=O)O.CCCCCCCC(=O)OC(C)I.Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C37H53NO6.C27H35NO4.C21H32O.C20H29ClO.C20H30O2.C10H19IO2.C8H15ClO.C8H16O2.C7H7NO3.C2H4O.C2H6/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-24-26-35(40)38-32-28-29-34(39)33(30-32)37(42)44-31(3)43-36(41)27-25-22-9-7-5-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(30)28-23-20-21-25(29)24(22-23)27(31)32;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-3-4-5-6-7-8-10(12)13-9(2)11;2*1-2-3-4-5-6-7-8(9)10;8-4-1-2-6(9)5(3-4)7(10)11;1-2-3;1-2/h6,8,11-12,14-15,17-18,20-21,28-31,39H,4-5,7,9-10,13,16,19,22-27H2,1-3H3,(H,38,40);3-4,6-7,9-10,12-13,15-16,20-22,29H,2,5,8,11,14,17-19H2,1H3,(H,28,30)(H,31,32);4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3;3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3;3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22);9H,3-8H2,1-2H3;2-7H2,1H3;2-7H2,1H3,(H,9,10);1-3,9H,8H2,(H,10,11);2H,1H3;1-2H3/b8-6-,12-11-,15-14-,18-17-,21-20-;4-3-,7-6-,10-9-,13-12-,16-15-;5-4-,8-7-,11-10-,14-13-,17-16-;2*4-3-,7-6-,10-9-,13-12-,16-15-;;;;;;
InChIKeyNUXOYSZXCPFOHX-OYUAZLROSA-N
MW2801.56 g/mol
LogP46.89
Rot. Bonds97

About acetaldehyde;5-amino-2-hydroxybenzoic acid;ethane;(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaen-2-one;2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride;1-iodoethyl octanoate;octanoic acid;octanoyl chloride;1-octanoyloxyethyl 2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoate

acetaldehyde;5-amino-2-hydroxybenzoic acid;ethane;(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaen-2-one;2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride;1-iodoethyl octanoate;octanoic acid;octanoyl chloride;1-octanoyloxyethyl 2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoate (PubChem CID 159892399) has the molecular formula C162H246Cl2IN3O23 and a molecular weight of 2801.56 g/mol. Its IUPAC name is acetaldehyde;5-amino-2-hydroxybenzoic acid;ethane;(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaen-2-one;2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride;1-iodoethyl octanoate;octanoic acid;octanoyl chloride;1-octanoyloxyethyl 2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoate.

Molecular Properties

Compound Nameacetaldehyde;5-amino-2-hydroxybenzoic acid;ethane;(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaen-2-one;2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride;1-iodoethyl octanoate;octanoic acid;octanoyl chloride;1-octanoyloxyethyl 2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoate
PubChem CID159892399
Molecular FormulaC162H246Cl2IN3O23
Molecular Weight2801.56 g/mol
Exact Mass2798.66
IUPAC Nameacetaldehyde;5-amino-2-hydroxybenzoic acid;ethane;(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaen-2-one;2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride;1-iodoethyl octanoate;octanoic acid;octanoyl chloride;1-octanoyloxyethyl 2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoate
SMILESCC.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Cl.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(O)c(C(=O)O)c1.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(O)c(C(=O)OC(C)OC(=O)CCCCCCC)c1.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(C)=O.CC=O.CCCCCCCC(=O)Cl.CCCCCCCC(=O)O.CCCCCCCC(=O)OC(C)I.Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C37H53NO6.C27H35NO4.C21H32O.C20H29ClO.C20H30O2.C10H19IO2.C8H15ClO.C8H16O2.C7H7NO3.C2H4O.C2H6/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-24-26-35(40)38-32-28-29-34(39)33(30-32)37(42)44-31(3)43-36(41)27-25-22-9-7-5-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(30)28-23-20-21-25(29)24(22-23)27(31)32;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-3-4-5-6-7-8-10(12)13-9(2)11;2*1-2-3-4-5-6-7-8(9)10;8-4-1-2-6(9)5(3-4)7(10)11;1-2-3;1-2/h6,8,11-12,14-15,17-18,20-21,28-31,39H,4-5,7,9-10,13,16,19,22-27H2,1-3H3,(H,38,40);3-4,6-7,9-10,12-13,15-16,20-22,29H,2,5,8,11,14,17-19H2,1H3,(H,28,30)(H,31,32);4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3;3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3;3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22);9H,3-8H2,1-2H3;2-7H2,1H3;2-7H2,1H3,(H,9,10);1-3,9H,8H2,(H,10,11);2H,1H3;1-2H3/b8-6-,12-11-,15-14-,18-17-,21-20-;4-3-,7-6-,10-9-,13-12-,16-15-;5-4-,8-7-,11-10-,14-13-,17-16-;2*4-3-,7-6-,10-9-,13-12-,16-15-;;;;;;
InChIKeyNUXOYSZXCPFOHX-OYUAZLROSA-N
XLogP46.89
TPSA441.29 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds97
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002801.56
LogP ≤ 546.89
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze acetaldehyde;5-amino-2-hydroxybenzoic acid;ethane;(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaen-2-one;2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride;1-iodoethyl octanoate;octanoic acid;octanoyl chloride;1-octanoyloxyethyl 2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoate with MolForge

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Launch Full Analysis

Related Compounds

[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl] 2-hydroxy-5-(octanoylamino)benzoate
CID 121307788
2-hydroxy-5-[2-(octadeca-9,12,15-trienoylamino)ethoxycarbonylamino]benzoic acid
CID 75057952
(7Z,10Z,13Z)-9-[(Z)-hexadec-9-enoyl]oxyhexadeca-7,10,13-trienoic acid
CID 138145898
icosa-5,8,11,14-tetraenoic acid;[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl] icosa-5,8,11,14-tetraenoate
CID 174823698
1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl (9Z,12Z)-octadeca-9,12-dienoate
CID 141440294
7-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxyhexadecanoic acid
CID 134729459
6-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxyicosanoic acid
CID 134739388
10-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypentadecanoic acid
CID 134764434
14-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypentadecanoic acid
CID 134748574
(10Z,13Z,16Z)-9-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxydocosa-10,13,16-trienoic acid
CID 138198611
(Z)-9-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxydocos-13-enoic acid
CID 138121738
(Z)-9-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxytetracos-13-enoic acid
CID 138224687

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;5-amino-2-hydroxybenzoic acid;ethane;(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaen-2-one;2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride;1-iodoethyl octanoate;octanoic acid;octanoyl chloride;1-octanoyloxyethyl 2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoate?
The IUPAC name of acetaldehyde;5-amino-2-hydroxybenzoic acid;ethane;(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaen-2-one;2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride;1-iodoethyl octanoate;octanoic acid;octanoyl chloride;1-octanoyloxyethyl 2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoate (CID 159892399) is acetaldehyde;5-amino-2-hydroxybenzoic acid;ethane;(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaen-2-one;2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride;1-iodoethyl octanoate;octanoic acid;octanoyl chloride;1-octanoyloxyethyl 2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoate.
What is the SMILES notation for acetaldehyde;5-amino-2-hydroxybenzoic acid;ethane;(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaen-2-one;2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride;1-iodoethyl octanoate;octanoic acid;octanoyl chloride;1-octanoyloxyethyl 2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoate?
The canonical SMILES for acetaldehyde;5-amino-2-hydroxybenzoic acid;ethane;(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaen-2-one;2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride;1-iodoethyl octanoate;octanoic acid;octanoyl chloride;1-octanoyloxyethyl 2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoate is CC.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Cl.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(O)c(C(=O)O)c1.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(O)c(C(=O)OC(C)OC(=O)CCCCCCC)c1.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(C)=O.CC=O.CCCCCCCC(=O)Cl.CCCCCCCC(=O)O.CCCCCCCC(=O)OC(C)I.Nc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of acetaldehyde;5-amino-2-hydroxybenzoic acid;ethane;(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaen-2-one;2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride;1-iodoethyl octanoate;octanoic acid;octanoyl chloride;1-octanoyloxyethyl 2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoate?
The InChIKey is NUXOYSZXCPFOHX-OYUAZLROSA-N. The full InChI is InChI=1S/C37H53NO6.C27H35NO4.C21H32O.C20H29ClO.C20H30O2.C10H19IO2.C8H15ClO.C8H16O2.C7H7NO3.C2H4O.C2H6/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-24-26-35(40)38-32-28-29-34(39)33(30-32)37(42)44-31(3)43-36(41)27-25-22-9-7-5-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(30)28-23-20-21-25(29)24(22-23)27(31)32;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-3-4-5-6-7-8-10(12)13-9(2)11;2*1-2-3-4-5-6-7-8(9)10;8-4-1-2-6(9)5(3-4)7(10)11;1-2-3;1-2/h6,8,11-12,14-15,17-18,20-21,28-31,39H,4-5,7,9-10,13,16,19,22-27H2,1-3H3,(H,38,40);3-4,6-7,9-10,12-13,15-16,20-22,29H,2,5,8,11,14,17-19H2,1H3,(H,28,30)(H,31,32);4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3;3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3;3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22);9H,3-8H2,1-2H3;2-7H2,1H3;2-7H2,1H3,(H,9,10);1-3,9H,8H2,(H,10,11);2H,1H3;1-2H3/b8-6-,12-11-,15-14-,18-17-,21-20-;4-3-,7-6-,10-9-,13-12-,16-15-;5-4-,8-7-,11-10-,14-13-,17-16-;2*4-3-,7-6-,10-9-,13-12-,16-15-;;;;;;.
What are the key properties of acetaldehyde;5-amino-2-hydroxybenzoic acid;ethane;(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaen-2-one;2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride;1-iodoethyl octanoate;octanoic acid;octanoyl chloride;1-octanoyloxyethyl 2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoate?
acetaldehyde;5-amino-2-hydroxybenzoic acid;ethane;(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaen-2-one;2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride;1-iodoethyl octanoate;octanoic acid;octanoyl chloride;1-octanoyloxyethyl 2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoate has a molecular weight of 2801.56 g/mol, XLogP of 46.89, 97 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;5-amino-2-hydroxybenzoic acid;ethane;(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaen-2-one;2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride;1-iodoethyl octanoate;octanoic acid;octanoyl chloride;1-octanoyloxyethyl 2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoate is sourced from PubChem (CID 159892399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).