About [2-[2-[6-[1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethoxy]-2-oxoethyl] 6-nitrooxyhexanoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-[2-[2-(6-nitrooxyhexanoyloxy)acetyl]oxyacetyl]oxybenzoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-propanoyloxybenzoate;[2-[6-[1-[2-(4-nitrooxybutoxy)-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethyl] 2,2-bis(hydroxymethyl)butanoate;[2-(4-nitrooxybutoxy)-2-oxoethyl] 2-[2-[2,2-bis(hydroxymethyl)butanoyloxy]acetyl]oxybenzoate;[6-[6-[1-[2-[2-[6-(4-nitrooxybutoxy)-6-oxohexoxy]-2-oxoethoxy]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-6-oxohexyl] 2,2-bis(hydroxymethyl)butanoate
[2-[2-[6-[1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethoxy]-2-oxoethyl] 6-nitrooxyhexanoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-[2-[2-(6-nitrooxyhexanoyloxy)acetyl]oxyacetyl]oxybenzoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-propanoyloxybenzoate;[2-[6-[1-[2-(4-nitrooxybutoxy)-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethyl] 2,2-bis(hydroxymethyl)butanoate;[2-(4-nitrooxybutoxy)-2-oxoethyl] 2-[2-[2,2-bis(hydroxymethyl)butanoyloxy]acetyl]oxybenzoate;[6-[6-[1-[2-[2-[6-(4-nitrooxybutoxy)-6-oxohexoxy]-2-oxoethoxy]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-6-oxohexyl] 2,2-bis(hydroxymethyl)butanoate (PubChem CID 159076937) has the molecular formula C155H200N8O78
and a molecular weight of 3423.28 g/mol. Its IUPAC name is [2-[2-[6-[1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethoxy]-2-oxoethyl] 6-nitrooxyhexanoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-[2-[2-(6-nitrooxyhexanoyloxy)acetyl]oxyacetyl]oxybenzoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-propanoyloxybenzoate;[2-[6-[1-[2-(4-nitrooxybutoxy)-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethyl] 2,2-bis(hydroxymethyl)butanoate;[2-(4-nitrooxybutoxy)-2-oxoethyl] 2-[2-[2,2-bis(hydroxymethyl)butanoyloxy]acetyl]oxybenzoate;[6-[6-[1-[2-[2-[6-(4-nitrooxybutoxy)-6-oxohexoxy]-2-oxoethoxy]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-6-oxohexyl] 2,2-bis(hydroxymethyl)butanoate.
Frequently Asked Questions
What is the IUPAC name of [2-[2-[6-[1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethoxy]-2-oxoethyl] 6-nitrooxyhexanoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-[2-[2-(6-nitrooxyhexanoyloxy)acetyl]oxyacetyl]oxybenzoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-propanoyloxybenzoate;[2-[6-[1-[2-(4-nitrooxybutoxy)-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethyl] 2,2-bis(hydroxymethyl)butanoate;[2-(4-nitrooxybutoxy)-2-oxoethyl] 2-[2-[2,2-bis(hydroxymethyl)butanoyloxy]acetyl]oxybenzoate;[6-[6-[1-[2-[2-[6-(4-nitrooxybutoxy)-6-oxohexoxy]-2-oxoethoxy]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-6-oxohexyl] 2,2-bis(hydroxymethyl)butanoate?
The IUPAC name of [2-[2-[6-[1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethoxy]-2-oxoethyl] 6-nitrooxyhexanoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-[2-[2-(6-nitrooxyhexanoyloxy)acetyl]oxyacetyl]oxybenzoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-propanoyloxybenzoate;[2-[6-[1-[2-(4-nitrooxybutoxy)-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethyl] 2,2-bis(hydroxymethyl)butanoate;[2-(4-nitrooxybutoxy)-2-oxoethyl] 2-[2-[2,2-bis(hydroxymethyl)butanoyloxy]acetyl]oxybenzoate;[6-[6-[1-[2-[2-[6-(4-nitrooxybutoxy)-6-oxohexoxy]-2-oxoethoxy]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-6-oxohexyl] 2,2-bis(hydroxymethyl)butanoate (CID 159076937) is [2-[2-[6-[1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethoxy]-2-oxoethyl] 6-nitrooxyhexanoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-[2-[2-(6-nitrooxyhexanoyloxy)acetyl]oxyacetyl]oxybenzoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-propanoyloxybenzoate;[2-[6-[1-[2-(4-nitrooxybutoxy)-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethyl] 2,2-bis(hydroxymethyl)butanoate;[2-(4-nitrooxybutoxy)-2-oxoethyl] 2-[2-[2,2-bis(hydroxymethyl)butanoyloxy]acetyl]oxybenzoate;[6-[6-[1-[2-[2-[6-(4-nitrooxybutoxy)-6-oxohexoxy]-2-oxoethoxy]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-6-oxohexyl] 2,2-bis(hydroxymethyl)butanoate.
What is the SMILES notation for [2-[2-[6-[1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethoxy]-2-oxoethyl] 6-nitrooxyhexanoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-[2-[2-(6-nitrooxyhexanoyloxy)acetyl]oxyacetyl]oxybenzoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-propanoyloxybenzoate;[2-[6-[1-[2-(4-nitrooxybutoxy)-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethyl] 2,2-bis(hydroxymethyl)butanoate;[2-(4-nitrooxybutoxy)-2-oxoethyl] 2-[2-[2,2-bis(hydroxymethyl)butanoyloxy]acetyl]oxybenzoate;[6-[6-[1-[2-[2-[6-(4-nitrooxybutoxy)-6-oxohexoxy]-2-oxoethoxy]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-6-oxohexyl] 2,2-bis(hydroxymethyl)butanoate?
The canonical SMILES for [2-[2-[6-[1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethoxy]-2-oxoethyl] 6-nitrooxyhexanoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-[2-[2-(6-nitrooxyhexanoyloxy)acetyl]oxyacetyl]oxybenzoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-propanoyloxybenzoate;[2-[6-[1-[2-(4-nitrooxybutoxy)-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethyl] 2,2-bis(hydroxymethyl)butanoate;[2-(4-nitrooxybutoxy)-2-oxoethyl] 2-[2-[2,2-bis(hydroxymethyl)butanoyloxy]acetyl]oxybenzoate;[6-[6-[1-[2-[2-[6-(4-nitrooxybutoxy)-6-oxohexoxy]-2-oxoethoxy]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-6-oxohexyl] 2,2-bis(hydroxymethyl)butanoate is CC(C(=O)OCC(=O)NC(C)(CO)CO)c1ccc2cc(OC(=O)COC(=O)COC(=O)CCCCCO[N+](=O)[O-])ccc2c1.CC(CO)(CO)NC(=O)COC(=O)c1ccccc1OC(=O)COC(=O)COC(=O)CCCCCO[N+](=O)[O-].CCC(=O)Oc1ccccc1C(=O)OCC(=O)NC(C)(CO)CO.CCC(CO)(CO)C(=O)OCC(=O)Oc1ccc2cc(C(C)C(=O)OCC(=O)OCCCCO[N+](=O)[O-])ccc2c1.CCC(CO)(CO)C(=O)OCC(=O)Oc1ccccc1C(=O)OCC(=O)OCCCCO[N+](=O)[O-].CCC(CO)(CO)C(=O)OCCCCCC(=O)Oc1ccc2cc(C(C)C(=O)OCC(=O)OCC(=O)OCCCCCC(=O)OCCCCO[N+](=O)[O-])ccc2c1.
What is the InChIKey of [2-[2-[6-[1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethoxy]-2-oxoethyl] 6-nitrooxyhexanoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-[2-[2-(6-nitrooxyhexanoyloxy)acetyl]oxyacetyl]oxybenzoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-propanoyloxybenzoate;[2-[6-[1-[2-(4-nitrooxybutoxy)-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethyl] 2,2-bis(hydroxymethyl)butanoate;[2-(4-nitrooxybutoxy)-2-oxoethyl] 2-[2-[2,2-bis(hydroxymethyl)butanoyloxy]acetyl]oxybenzoate;[6-[6-[1-[2-[2-[6-(4-nitrooxybutoxy)-6-oxohexoxy]-2-oxoethoxy]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-6-oxohexyl] 2,2-bis(hydroxymethyl)butanoate?
The InChIKey is KAJFRWWKQKJZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H53NO17.C29H36N2O14.C27H33NO13.C23H30N2O14.C21H27NO13.C16H21NO7/c1-3-39(26-41,27-42)38(48)53-20-9-5-7-13-34(44)57-32-17-16-30-22-29(14-15-31(30)23-32)28(2)37(47)55-25-36(46)54-24-35(45)52-18-8-4-6-12-33(43)51-19-10-11-21-56-40(49)50;1-19(28(38)43-14-24(34)30-29(2,17-32)18-33)20-7-8-22-13-23(10-9-21(22)12-20)45-27(37)16-42-26(36)15-41-25(35)6-4-3-5-11-44-31(39)40;1-3-27(16-29,17-30)26(34)39-15-24(32)41-22-9-8-20-12-19(6-7-21(20)13-22)18(2)25(33)38-14-23(31)37-10-4-5-11-40-28(35)36;1-23(14-26,15-27)24-18(28)11-37-22(32)16-7-4-5-8-17(16)39-21(31)13-36-20(30)12-35-19(29)9-3-2-6-10-38-25(33)34;1-2-21(13-23,14-24)20(28)33-12-18(26)35-16-8-4-3-7-15(16)19(27)32-11-17(25)31-9-5-6-10-34-22(29)30;1-3-14(21)24-12-7-5-4-6-11(12)15(22)23-8-13(20)17-16(2,9-18)10-19/h14-17,22-23,28,41-42H,3-13,18-21,24-27H2,1-2H3;7-10,12-13,19,32-33H,3-6,11,14-18H2,1-2H3,(H,30,34);6-9,12-13,18,29-30H,3-5,10-11,14-17H2,1-2H3;4-5,7-8,26-27H,2-3,6,9-15H2,1H3,(H,24,28);3-4,7-8,23-24H,2,5-6,9-14H2,1H3;4-7,18-19H,3,8-10H2,1-2H3,(H,17,20).
What are the key properties of [2-[2-[6-[1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethoxy]-2-oxoethyl] 6-nitrooxyhexanoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-[2-[2-(6-nitrooxyhexanoyloxy)acetyl]oxyacetyl]oxybenzoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-propanoyloxybenzoate;[2-[6-[1-[2-(4-nitrooxybutoxy)-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethyl] 2,2-bis(hydroxymethyl)butanoate;[2-(4-nitrooxybutoxy)-2-oxoethyl] 2-[2-[2,2-bis(hydroxymethyl)butanoyloxy]acetyl]oxybenzoate;[6-[6-[1-[2-[2-[6-(4-nitrooxybutoxy)-6-oxohexoxy]-2-oxoethoxy]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-6-oxohexyl] 2,2-bis(hydroxymethyl)butanoate?
[2-[2-[6-[1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethoxy]-2-oxoethyl] 6-nitrooxyhexanoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-[2-[2-(6-nitrooxyhexanoyloxy)acetyl]oxyacetyl]oxybenzoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-propanoyloxybenzoate;[2-[6-[1-[2-(4-nitrooxybutoxy)-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethyl] 2,2-bis(hydroxymethyl)butanoate;[2-(4-nitrooxybutoxy)-2-oxoethyl] 2-[2-[2,2-bis(hydroxymethyl)butanoyloxy]acetyl]oxybenzoate;[6-[6-[1-[2-[2-[6-(4-nitrooxybutoxy)-6-oxohexoxy]-2-oxoethoxy]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-6-oxohexyl] 2,2-bis(hydroxymethyl)butanoate has a molecular weight of 3423.28 g/mol, XLogP of 6.70, 107 rotatable bonds, 15 hydrogen bond donors, and 78 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[6-[1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethoxy]-2-oxoethyl] 6-nitrooxyhexanoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-[2-[2-(6-nitrooxyhexanoyloxy)acetyl]oxyacetyl]oxybenzoate;[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl] 2-propanoyloxybenzoate;[2-[6-[1-[2-(4-nitrooxybutoxy)-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-2-oxoethyl] 2,2-bis(hydroxymethyl)butanoate;[2-(4-nitrooxybutoxy)-2-oxoethyl] 2-[2-[2,2-bis(hydroxymethyl)butanoyloxy]acetyl]oxybenzoate;[6-[6-[1-[2-[2-[6-(4-nitrooxybutoxy)-6-oxohexoxy]-2-oxoethoxy]-2-oxoethoxy]-1-oxopropan-2-yl]naphthalen-2-yl]oxy-6-oxohexyl] 2,2-bis(hydroxymethyl)butanoate is sourced from PubChem (CID 159076937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).