(2-amino-3-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(3-amino-2-hydroxypropyl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate;(2-amino-3-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(3-amino-2-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate

C202H322N6O26 — CID 161041490

IUPAC(2-amino-3-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(3-amino-2-hydroxypropyl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate;(2-amino-3-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(3-amino-2-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(N)CO.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(O)CN.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(N)CO.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(O)CN.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCC(O)CN.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCC1COC(C)(C)O1.CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(O)CN.CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC1COC(C)(C)O1
InChIInChI=1S/2C28H44O4.C25H39NO3.2C25H41NO3.C25H39NO3.2C23H37NO3/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(29)30-24-26-25-31-28(2,3)32-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(26)22-27;3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(24)20-25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h8-9,11-12,14-15,17-18,20-21,26H,4-7,10,13,16,19,22-25H2,1-3H3;5-6,8-9,11-12,14-15,17-18,26H,4,7,10,13,16,19-25H2,1-3H3;3-4,6-7,9-10,12-13,15-16,18-19,24,27H,2,5,8,11,14,17,20-23,26H2,1H3;6-7,9-10,12-13,15-16,18-19,24,27H,2-5,8,11,14,17,20-23,26H2,1H3;3-4,6-7,9-10,12-13,15-16,24,27H,2,5,8,11,14,17-23,26H2,1H3;3-4,6-7,9-10,12-13,15-16,18-19,24,27H,2,5,8,11,14,17,20-23,26H2,1H3;2*3-4,6-7,9-10,12-13,15-16,22,25H,2,5,8,11,14,17-21,24H2,1H3/b9-8-,12-11-,15-14-,18-17-,21-20-;6-5-,9-8-,12-11-,15-14-,18-17-;4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;7-6-,10-9-,13-12-,16-15-,19-18-;4-3-,7-6-,10-9-,13-12-,16-15-;4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;2*4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyUAYCTWWFTKICNY-VQGHMGHBSA-N
MW3250.81 g/mol
LogP46.06
Rot. Bonds136

About (2-amino-3-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(3-amino-2-hydroxypropyl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate;(2-amino-3-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(3-amino-2-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate

(2-amino-3-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(3-amino-2-hydroxypropyl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate;(2-amino-3-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(3-amino-2-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (PubChem CID 161041490) has the molecular formula C202H322N6O26 and a molecular weight of 3250.81 g/mol. Its IUPAC name is (2-amino-3-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(3-amino-2-hydroxypropyl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate;(2-amino-3-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(3-amino-2-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate.

Molecular Properties

Compound Name(2-amino-3-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(3-amino-2-hydroxypropyl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate;(2-amino-3-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(3-amino-2-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
PubChem CID161041490
Molecular FormulaC202H322N6O26
Molecular Weight3250.81 g/mol
Exact Mass3248.41
IUPAC Name(2-amino-3-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(3-amino-2-hydroxypropyl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate;(2-amino-3-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(3-amino-2-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(N)CO.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(O)CN.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(N)CO.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(O)CN.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCC(O)CN.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCC1COC(C)(C)O1.CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(O)CN.CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC1COC(C)(C)O1
InChIInChI=1S/2C28H44O4.C25H39NO3.2C25H41NO3.C25H39NO3.2C23H37NO3/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(29)30-24-26-25-31-28(2,3)32-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(26)22-27;3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(24)20-25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h8-9,11-12,14-15,17-18,20-21,26H,4-7,10,13,16,19,22-25H2,1-3H3;5-6,8-9,11-12,14-15,17-18,26H,4,7,10,13,16,19-25H2,1-3H3;3-4,6-7,9-10,12-13,15-16,18-19,24,27H,2,5,8,11,14,17,20-23,26H2,1H3;6-7,9-10,12-13,15-16,18-19,24,27H,2-5,8,11,14,17,20-23,26H2,1H3;3-4,6-7,9-10,12-13,15-16,24,27H,2,5,8,11,14,17-23,26H2,1H3;3-4,6-7,9-10,12-13,15-16,18-19,24,27H,2,5,8,11,14,17,20-23,26H2,1H3;2*3-4,6-7,9-10,12-13,15-16,22,25H,2,5,8,11,14,17-21,24H2,1H3/b9-8-,12-11-,15-14-,18-17-,21-20-;6-5-,9-8-,12-11-,15-14-,18-17-;4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;7-6-,10-9-,13-12-,16-15-,19-18-;4-3-,7-6-,10-9-,13-12-,16-15-;4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;2*4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyUAYCTWWFTKICNY-VQGHMGHBSA-N
XLogP46.06
TPSA524.82 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds136
Heavy Atoms234
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003250.81
LogP ≤ 546.06
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2-amino-3-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(3-amino-2-hydroxypropyl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate;(2-amino-3-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(3-amino-2-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(3-amino-2-hydroxypropyl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate;(2-amino-3-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(3-amino-2-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate?
The IUPAC name of (2-amino-3-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(3-amino-2-hydroxypropyl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate;(2-amino-3-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(3-amino-2-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (CID 161041490) is (2-amino-3-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(3-amino-2-hydroxypropyl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate;(2-amino-3-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(3-amino-2-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate.
What is the SMILES notation for (2-amino-3-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(3-amino-2-hydroxypropyl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate;(2-amino-3-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(3-amino-2-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate?
The canonical SMILES for (2-amino-3-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(3-amino-2-hydroxypropyl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate;(2-amino-3-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(3-amino-2-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(N)CO.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(O)CN.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(N)CO.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(O)CN.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCC(O)CN.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCC1COC(C)(C)O1.CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(O)CN.CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC1COC(C)(C)O1.
What is the InChIKey of (2-amino-3-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(3-amino-2-hydroxypropyl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate;(2-amino-3-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(3-amino-2-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate?
The InChIKey is UAYCTWWFTKICNY-VQGHMGHBSA-N. The full InChI is InChI=1S/2C28H44O4.C25H39NO3.2C25H41NO3.C25H39NO3.2C23H37NO3/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(29)30-24-26-25-31-28(2,3)32-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(26)22-27;3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(24)20-25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h8-9,11-12,14-15,17-18,20-21,26H,4-7,10,13,16,19,22-25H2,1-3H3;5-6,8-9,11-12,14-15,17-18,26H,4,7,10,13,16,19-25H2,1-3H3;3-4,6-7,9-10,12-13,15-16,18-19,24,27H,2,5,8,11,14,17,20-23,26H2,1H3;6-7,9-10,12-13,15-16,18-19,24,27H,2-5,8,11,14,17,20-23,26H2,1H3;3-4,6-7,9-10,12-13,15-16,24,27H,2,5,8,11,14,17-23,26H2,1H3;3-4,6-7,9-10,12-13,15-16,18-19,24,27H,2,5,8,11,14,17,20-23,26H2,1H3;2*3-4,6-7,9-10,12-13,15-16,22,25H,2,5,8,11,14,17-21,24H2,1H3/b9-8-,12-11-,15-14-,18-17-,21-20-;6-5-,9-8-,12-11-,15-14-,18-17-;4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;7-6-,10-9-,13-12-,16-15-,19-18-;4-3-,7-6-,10-9-,13-12-,16-15-;4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;2*4-3-,7-6-,10-9-,13-12-,16-15-.
What are the key properties of (2-amino-3-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(3-amino-2-hydroxypropyl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate;(2-amino-3-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(3-amino-2-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate?
(2-amino-3-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(3-amino-2-hydroxypropyl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate;(2-amino-3-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(3-amino-2-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate has a molecular weight of 3250.81 g/mol, XLogP of 46.06, 136 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;(3-amino-2-hydroxypropyl) (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(3-amino-2-hydroxypropyl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate;(2-amino-3-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(3-amino-2-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate is sourced from PubChem (CID 161041490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).