About [6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylcarbamoyl]-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-hydroxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;6-bromo-7-(2,2-dimethylpropanoyloxy)-2-oxochromene-3-carboxylic acid;[6-bromo-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;5-methoxypentan-1-amine;oxo-bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium
[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylcarbamoyl]-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-hydroxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;6-bromo-7-(2,2-dimethylpropanoyloxy)-2-oxochromene-3-carboxylic acid;[6-bromo-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;5-methoxypentan-1-amine;oxo-bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium (PubChem CID 159881633) has the molecular formula C161H219Br2F24N15O52P5+
and a molecular weight of 3967.21 g/mol. Its IUPAC name is [6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylcarbamoyl]-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-hydroxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;6-bromo-7-(2,2-dimethylpropanoyloxy)-2-oxochromene-3-carboxylic acid;[6-bromo-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;5-methoxypentan-1-amine;oxo-bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium.
Frequently Asked Questions
What is the IUPAC name of [6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylcarbamoyl]-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-hydroxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;6-bromo-7-(2,2-dimethylpropanoyloxy)-2-oxochromene-3-carboxylic acid;[6-bromo-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;5-methoxypentan-1-amine;oxo-bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium?
The IUPAC name of [6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylcarbamoyl]-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-hydroxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;6-bromo-7-(2,2-dimethylpropanoyloxy)-2-oxochromene-3-carboxylic acid;[6-bromo-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;5-methoxypentan-1-amine;oxo-bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium (CID 159881633) is [6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylcarbamoyl]-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-hydroxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;6-bromo-7-(2,2-dimethylpropanoyloxy)-2-oxochromene-3-carboxylic acid;[6-bromo-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;5-methoxypentan-1-amine;oxo-bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium.
What is the SMILES notation for [6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylcarbamoyl]-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-hydroxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;6-bromo-7-(2,2-dimethylpropanoyloxy)-2-oxochromene-3-carboxylic acid;[6-bromo-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;5-methoxypentan-1-amine;oxo-bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium?
The canonical SMILES for [6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylcarbamoyl]-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-hydroxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;6-bromo-7-(2,2-dimethylpropanoyloxy)-2-oxochromene-3-carboxylic acid;[6-bromo-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;5-methoxypentan-1-amine;oxo-bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium is CC(C)(C)C(=O)Oc1cc2oc(=O)c(C(=O)NCCCCCO)cc2cc1P(=O)(OCCCCNC(=O)C(F)(F)F)OCCCCNC(=O)C(F)(F)F.CC(C)(C)C(=O)Oc1cc2oc(=O)c(C(=O)O)cc2cc1Br.CC(C)N(C(C)C)P(OCCC#N)OCCCCCCNC(=O)c1cc2cc(P(=O)(OCCCCNC(=O)C(F)(F)F)OCCCCNC(=O)C(F)(F)F)c(OC(=O)C(C)(C)C)cc2oc1=O.COCCCCCN.COCCCCCNC(=O)c1cc2cc(Br)c(OC(=O)C(C)(C)C)cc2oc1=O.COCCCCCNC(=O)c1cc2cc(P(=O)(OCCCCNC(=O)C(F)(F)F)OCCCCNC(=O)C(F)(F)F)c(OC(=O)C(C)(C)C)cc2oc1=O.O=C(NCCCCO[P+](=O)OCCCCNC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylcarbamoyl]-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-hydroxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;6-bromo-7-(2,2-dimethylpropanoyloxy)-2-oxochromene-3-carboxylic acid;[6-bromo-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;5-methoxypentan-1-amine;oxo-bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium?
The InChIKey is ZGWZXDFJERKRPQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C42H61F6N5O12P2.C33H44F6N3O11P.C32H42F6N3O11P.C21H26BrNO6.C15H13BrO6.C12H17F6N2O5P.C6H15NO/c1-28(2)53(29(3)4)66(61-22-16-17-49)60-21-13-9-8-10-18-50-35(54)31-25-30-26-34(33(27-32(30)64-36(31)55)65-39(58)40(5,6)7)67(59,62-23-14-11-19-51-37(56)41(43,44)45)63-24-15-12-20-52-38(57)42(46,47)48;1-31(2,3)30(47)53-24-20-23-21(18-22(27(44)52-23)26(43)40-12-6-5-9-15-49-4)19-25(24)54(48,50-16-10-7-13-41-28(45)32(34,35)36)51-17-11-8-14-42-29(46)33(37,38)39;1-30(2,3)29(47)52-23-19-22-20(17-21(26(44)51-22)25(43)39-11-5-4-8-14-42)18-24(23)53(48,49-15-9-6-12-40-27(45)31(33,34)35)50-16-10-7-13-41-28(46)32(36,37)38;1-21(2,3)20(26)29-17-12-16-13(11-15(17)22)10-14(19(25)28-16)18(24)23-8-6-5-7-9-27-4;1-15(2,3)14(20)22-11-6-10-7(5-9(11)16)4-8(12(17)18)13(19)21-10;13-11(14,15)9(21)19-5-1-3-7-24-26(23)25-8-4-2-6-20-10(22)12(16,17)18;1-8-6-4-2-3-5-7/h25-29H,8-16,18-24H2,1-7H3,(H,50,54)(H,51,56)(H,52,57);18-20H,5-17H2,1-4H3,(H,40,43)(H,41,45)(H,42,46);17-19,42H,4-16H2,1-3H3,(H,39,43)(H,40,45)(H,41,46);10-12H,5-9H2,1-4H3,(H,23,24);4-6H,1-3H3,(H,17,18);1-8H2,(H-,19,20,21,22);2-7H2,1H3/p+1.
What are the key properties of [6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylcarbamoyl]-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-hydroxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;6-bromo-7-(2,2-dimethylpropanoyloxy)-2-oxochromene-3-carboxylic acid;[6-bromo-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;5-methoxypentan-1-amine;oxo-bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium?
[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylcarbamoyl]-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-hydroxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;6-bromo-7-(2,2-dimethylpropanoyloxy)-2-oxochromene-3-carboxylic acid;[6-bromo-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;5-methoxypentan-1-amine;oxo-bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium has a molecular weight of 3967.21 g/mol, XLogP of 28.18, 97 rotatable bonds, 15 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylcarbamoyl]-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-hydroxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;[6-[bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;6-bromo-7-(2,2-dimethylpropanoyloxy)-2-oxochromene-3-carboxylic acid;[6-bromo-3-(5-methoxypentylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate;5-methoxypentan-1-amine;oxo-bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium is sourced from PubChem (CID 159881633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).