About dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine;N-methyl-3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2S,5S,8R,11S,14R)-2,5,8,11,14-pentamethyl-1,4,7,10,13-pentazacyclopentadecane;3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2R,5S,8R,11S)-2,5,8,11-tetrakis(methoxymethyl)-1,4,7,10,13-pentazacyclopentadecane;(1R,4S,7R,10S,15R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;(4S,7R,10R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;[(2S,8R,11S,14R)-8,11,14-tris(acetyloxymethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]methyl acetate;dihydrochloride
dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine;N-methyl-3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2S,5S,8R,11S,14R)-2,5,8,11,14-pentamethyl-1,4,7,10,13-pentazacyclopentadecane;3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2R,5S,8R,11S)-2,5,8,11-tetrakis(methoxymethyl)-1,4,7,10,13-pentazacyclopentadecane;(1R,4S,7R,10S,15R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;(4S,7R,10R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;[(2S,8R,11S,14R)-8,11,14-tris(acetyloxymethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]methyl acetate;dihydrochloride (PubChem CID 162299635) has the molecular formula C151H325Cl4MnN43O12
and a molecular weight of 3132.30 g/mol. Its IUPAC name is dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine;N-methyl-3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2S,5S,8R,11S,14R)-2,5,8,11,14-pentamethyl-1,4,7,10,13-pentazacyclopentadecane;3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2R,5S,8R,11S)-2,5,8,11-tetrakis(methoxymethyl)-1,4,7,10,13-pentazacyclopentadecane;(1R,4S,7R,10S,15R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;(4S,7R,10R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;[(2S,8R,11S,14R)-8,11,14-tris(acetyloxymethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]methyl acetate;dihydrochloride.
Frequently Asked Questions
What is the IUPAC name of dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine;N-methyl-3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2S,5S,8R,11S,14R)-2,5,8,11,14-pentamethyl-1,4,7,10,13-pentazacyclopentadecane;3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2R,5S,8R,11S)-2,5,8,11-tetrakis(methoxymethyl)-1,4,7,10,13-pentazacyclopentadecane;(1R,4S,7R,10S,15R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;(4S,7R,10R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;[(2S,8R,11S,14R)-8,11,14-tris(acetyloxymethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]methyl acetate;dihydrochloride?
The IUPAC name of dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine;N-methyl-3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2S,5S,8R,11S,14R)-2,5,8,11,14-pentamethyl-1,4,7,10,13-pentazacyclopentadecane;3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2R,5S,8R,11S)-2,5,8,11-tetrakis(methoxymethyl)-1,4,7,10,13-pentazacyclopentadecane;(1R,4S,7R,10S,15R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;(4S,7R,10R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;[(2S,8R,11S,14R)-8,11,14-tris(acetyloxymethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]methyl acetate;dihydrochloride (CID 162299635) is dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine;N-methyl-3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2S,5S,8R,11S,14R)-2,5,8,11,14-pentamethyl-1,4,7,10,13-pentazacyclopentadecane;3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2R,5S,8R,11S)-2,5,8,11-tetrakis(methoxymethyl)-1,4,7,10,13-pentazacyclopentadecane;(1R,4S,7R,10S,15R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;(4S,7R,10R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;[(2S,8R,11S,14R)-8,11,14-tris(acetyloxymethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]methyl acetate;dihydrochloride.
What is the SMILES notation for dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine;N-methyl-3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2S,5S,8R,11S,14R)-2,5,8,11,14-pentamethyl-1,4,7,10,13-pentazacyclopentadecane;3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2R,5S,8R,11S)-2,5,8,11-tetrakis(methoxymethyl)-1,4,7,10,13-pentazacyclopentadecane;(1R,4S,7R,10S,15R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;(4S,7R,10R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;[(2S,8R,11S,14R)-8,11,14-tris(acetyloxymethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]methyl acetate;dihydrochloride?
The canonical SMILES for dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine;N-methyl-3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2S,5S,8R,11S,14R)-2,5,8,11,14-pentamethyl-1,4,7,10,13-pentazacyclopentadecane;3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2R,5S,8R,11S)-2,5,8,11-tetrakis(methoxymethyl)-1,4,7,10,13-pentazacyclopentadecane;(1R,4S,7R,10S,15R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;(4S,7R,10R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;[(2S,8R,11S,14R)-8,11,14-tris(acetyloxymethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]methyl acetate;dihydrochloride is CC(=O)OC[C@H]1CN[C@H](COC(C)=O)CN[C@@H](COC(C)=O)CN[C@H](COC(C)=O)CNCCN1.CNCCC[C@H]1CN[C@@H]2CCCC[C@H]2NCCN[C@@H]2CCCC[C@H]2NCCN1.COC[C@H]1CN[C@H](COC)CN[C@@H](COC)CN[C@H](COC)CNCCN1.C[C@@H]1CN[C@@H](C)CN[C@@H]2CCCC[C@H]2NCCN[C@@H](C)CN1.C[C@@H]1CN[C@@H](C)CN[C@H](C)CN[C@@H](C)CN[C@@H](C)CN1.C[C@@H]1CN[C@@H](CCCN)CN[C@@H]2CCCC[C@H]2NCCN[C@@H](C)CN1.C[C@@H]1CN[C@H](C)CN[C@@H](C)CNC2CCCCC2NCCN1.Cl.Cl.Cl[Mn]Cl.NCCC[C@H]1CN[C@@H]2CCCC[C@H]2NCCN[C@@H]2CCCC[C@H]2NCCN1.
What is the InChIKey of dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine;N-methyl-3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2S,5S,8R,11S,14R)-2,5,8,11,14-pentamethyl-1,4,7,10,13-pentazacyclopentadecane;3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2R,5S,8R,11S)-2,5,8,11-tetrakis(methoxymethyl)-1,4,7,10,13-pentazacyclopentadecane;(1R,4S,7R,10S,15R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;(4S,7R,10R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;[(2S,8R,11S,14R)-8,11,14-tris(acetyloxymethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]methyl acetate;dihydrochloride?
The InChIKey is UDXXCTMQAYQWCT-JXHLZTQASA-L. The full InChI is InChI=1S/C22H46N6.C22H41N5O8.C21H44N6.C19H42N6.C18H41N5O4.2C17H37N5.C15H35N5.4ClH.Mn/c1-23-12-6-7-18-17-28-22-11-5-4-10-21(22)27-16-15-26-20-9-3-2-8-19(20)25-14-13-24-18;1-15(28)32-11-19-7-23-5-6-24-20(12-33-16(2)29)8-26-22(14-35-18(4)31)10-27-21(9-25-19)13-34-17(3)30;22-11-5-6-17-16-27-21-10-4-3-9-20(21)26-15-14-25-19-8-2-1-7-18(19)24-13-12-23-17;1-15-12-23-16(2)13-24-17(6-5-9-20)14-25-19-8-4-3-7-18(19)22-11-10-21-15;1-24-11-15-7-19-5-6-20-16(12-25-2)8-22-18(14-27-4)10-23-17(9-21-15)13-26-3;2*1-13-10-20-14(2)11-21-15(3)12-22-17-7-5-4-6-16(17)19-9-8-18-13;1-11-6-17-13(3)8-19-15(5)10-20-14(4)9-18-12(2)7-16-11;;;;;/h18-28H,2-17H2,1H3;19-27H,5-14H2,1-4H3;17-21,23-27H,1-16,22H2;15-19,21-25H,3-14,20H2,1-2H3;15-23H,5-14H2,1-4H3;2*13-22H,4-12H2,1-3H3;11-20H,6-10H2,1-5H3;4*1H;/q;;;;;;;;;;;;+2/p-2/t18-,19+,20+,21+,22+;19-,20+,21+,22-;17-,18+,19+,20+,21+;15-,16+,17-,18+,19+;15-,16+,17+,18-;13-,14+,15-,16+,17+;13-,14-,15+,16?,17?;11-,12-,13+,14+,15-;;;;;/m00000010...../s1.
What are the key properties of dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine;N-methyl-3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2S,5S,8R,11S,14R)-2,5,8,11,14-pentamethyl-1,4,7,10,13-pentazacyclopentadecane;3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2R,5S,8R,11S)-2,5,8,11-tetrakis(methoxymethyl)-1,4,7,10,13-pentazacyclopentadecane;(1R,4S,7R,10S,15R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;(4S,7R,10R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;[(2S,8R,11S,14R)-8,11,14-tris(acetyloxymethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]methyl acetate;dihydrochloride?
dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine;N-methyl-3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2S,5S,8R,11S,14R)-2,5,8,11,14-pentamethyl-1,4,7,10,13-pentazacyclopentadecane;3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2R,5S,8R,11S)-2,5,8,11-tetrakis(methoxymethyl)-1,4,7,10,13-pentazacyclopentadecane;(1R,4S,7R,10S,15R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;(4S,7R,10R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;[(2S,8R,11S,14R)-8,11,14-tris(acetyloxymethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]methyl acetate;dihydrochloride has a molecular weight of 3132.30 g/mol, XLogP of 0.40, 26 rotatable bonds, 43 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine;N-methyl-3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2S,5S,8R,11S,14R)-2,5,8,11,14-pentamethyl-1,4,7,10,13-pentazacyclopentadecane;3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine;(2R,5S,8R,11S)-2,5,8,11-tetrakis(methoxymethyl)-1,4,7,10,13-pentazacyclopentadecane;(1R,4S,7R,10S,15R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;(4S,7R,10R)-4,7,10-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;[(2S,8R,11S,14R)-8,11,14-tris(acetyloxymethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]methyl acetate;dihydrochloride is sourced from PubChem (CID 162299635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).