About [3-[2-[5-[(2S,3R,5S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl]-2-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-tritylamino]ethyl]hydrazinyl]-3-oxopropyl] 5-[(2R,4R,5R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-methyloxan-2-yl]oxy-4-oxopentanoate;N'-(2-aminoethyl)pentane-1,5-diamine;N'-[2-[2-aminoethyl(trityl)amino]ethyl]ethane-1,2-diamine;deuterio(methylsulfanyl)methane;2,2-dichloroacetic acid;N,N-diethylethanamine;ethyl acetate;methane;2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethylamino]ethyl]acetamide;2,2,2-trifluoro-N-[2-[(2,2,2-trifluoroacetyl)-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl-tritylamino]ethyl]amino]ethyl]acetamide;tetrakis(vanadium)
[3-[2-[5-[(2S,3R,5S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl]-2-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-tritylamino]ethyl]hydrazinyl]-3-oxopropyl] 5-[(2R,4R,5R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-methyloxan-2-yl]oxy-4-oxopentanoate;N'-(2-aminoethyl)pentane-1,5-diamine;N'-[2-[2-aminoethyl(trityl)amino]ethyl]ethane-1,2-diamine;deuterio(methylsulfanyl)methane;2,2-dichloroacetic acid;N,N-diethylethanamine;ethyl acetate;methane;2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethylamino]ethyl]acetamide;2,2,2-trifluoro-N-[2-[(2,2,2-trifluoroacetyl)-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl-tritylamino]ethyl]amino]ethyl]acetamide;tetrakis(vanadium) (PubChem CID 163648183) has the molecular formula C170H240Cl2F18N22O38SV4
and a molecular weight of 3849.63 g/mol. Its IUPAC name is [3-[2-[5-[(2S,3R,5S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl]-2-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-tritylamino]ethyl]hydrazinyl]-3-oxopropyl] 5-[(2R,4R,5R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-methyloxan-2-yl]oxy-4-oxopentanoate;N'-(2-aminoethyl)pentane-1,5-diamine;N'-[2-[2-aminoethyl(trityl)amino]ethyl]ethane-1,2-diamine;deuterio(methylsulfanyl)methane;2,2-dichloroacetic acid;N,N-diethylethanamine;ethyl acetate;methane;2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethylamino]ethyl]acetamide;2,2,2-trifluoro-N-[2-[(2,2,2-trifluoroacetyl)-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl-tritylamino]ethyl]amino]ethyl]acetamide;tetrakis(vanadium).
Frequently Asked Questions
What is the IUPAC name of [3-[2-[5-[(2S,3R,5S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl]-2-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-tritylamino]ethyl]hydrazinyl]-3-oxopropyl] 5-[(2R,4R,5R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-methyloxan-2-yl]oxy-4-oxopentanoate;N'-(2-aminoethyl)pentane-1,5-diamine;N'-[2-[2-aminoethyl(trityl)amino]ethyl]ethane-1,2-diamine;deuterio(methylsulfanyl)methane;2,2-dichloroacetic acid;N,N-diethylethanamine;ethyl acetate;methane;2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethylamino]ethyl]acetamide;2,2,2-trifluoro-N-[2-[(2,2,2-trifluoroacetyl)-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl-tritylamino]ethyl]amino]ethyl]acetamide;tetrakis(vanadium)?
The IUPAC name of [3-[2-[5-[(2S,3R,5S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl]-2-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-tritylamino]ethyl]hydrazinyl]-3-oxopropyl] 5-[(2R,4R,5R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-methyloxan-2-yl]oxy-4-oxopentanoate;N'-(2-aminoethyl)pentane-1,5-diamine;N'-[2-[2-aminoethyl(trityl)amino]ethyl]ethane-1,2-diamine;deuterio(methylsulfanyl)methane;2,2-dichloroacetic acid;N,N-diethylethanamine;ethyl acetate;methane;2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethylamino]ethyl]acetamide;2,2,2-trifluoro-N-[2-[(2,2,2-trifluoroacetyl)-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl-tritylamino]ethyl]amino]ethyl]acetamide;tetrakis(vanadium) (CID 163648183) is [3-[2-[5-[(2S,3R,5S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl]-2-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-tritylamino]ethyl]hydrazinyl]-3-oxopropyl] 5-[(2R,4R,5R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-methyloxan-2-yl]oxy-4-oxopentanoate;N'-(2-aminoethyl)pentane-1,5-diamine;N'-[2-[2-aminoethyl(trityl)amino]ethyl]ethane-1,2-diamine;deuterio(methylsulfanyl)methane;2,2-dichloroacetic acid;N,N-diethylethanamine;ethyl acetate;methane;2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethylamino]ethyl]acetamide;2,2,2-trifluoro-N-[2-[(2,2,2-trifluoroacetyl)-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl-tritylamino]ethyl]amino]ethyl]acetamide;tetrakis(vanadium).
What is the SMILES notation for [3-[2-[5-[(2S,3R,5S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl]-2-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-tritylamino]ethyl]hydrazinyl]-3-oxopropyl] 5-[(2R,4R,5R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-methyloxan-2-yl]oxy-4-oxopentanoate;N'-(2-aminoethyl)pentane-1,5-diamine;N'-[2-[2-aminoethyl(trityl)amino]ethyl]ethane-1,2-diamine;deuterio(methylsulfanyl)methane;2,2-dichloroacetic acid;N,N-diethylethanamine;ethyl acetate;methane;2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethylamino]ethyl]acetamide;2,2,2-trifluoro-N-[2-[(2,2,2-trifluoroacetyl)-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl-tritylamino]ethyl]amino]ethyl]acetamide;tetrakis(vanadium)?
The canonical SMILES for [3-[2-[5-[(2S,3R,5S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl]-2-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-tritylamino]ethyl]hydrazinyl]-3-oxopropyl] 5-[(2R,4R,5R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-methyloxan-2-yl]oxy-4-oxopentanoate;N'-(2-aminoethyl)pentane-1,5-diamine;N'-[2-[2-aminoethyl(trityl)amino]ethyl]ethane-1,2-diamine;deuterio(methylsulfanyl)methane;2,2-dichloroacetic acid;N,N-diethylethanamine;ethyl acetate;methane;2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethylamino]ethyl]acetamide;2,2,2-trifluoro-N-[2-[(2,2,2-trifluoroacetyl)-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl-tritylamino]ethyl]amino]ethyl]acetamide;tetrakis(vanadium) is C.CC(=O)NC1[C@H](OCCCCC(=O)NCCN(CCN(NC(=O)CCOC(=O)CCC(=O)CO[C@@H]2OC(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C2C)C(=O)CCCCO[C@H]2OC(COC(C)=O)[C@@H](OC(C)=O)C(C)[C@H]2NC(C)=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)OC(COC(C)=O)[C@H](OC(C)=O)[C@@H]1C.CCN(CC)CC.CCOC(C)=O.NCCCCCNCCN.NCCNCCN(CCN)C(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(NCCN(CCN(CCNC(=O)C(F)(F)F)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)C(F)(F)F)C(F)(F)F.O=C(NCCNCCN(CCNC(=O)C(F)(F)F)C(=O)C(F)(F)F)C(F)(F)F.O=C(O)C(Cl)Cl.[2H]CSC.[V].[V].[V].[V].
What is the InChIKey of [3-[2-[5-[(2S,3R,5S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl]-2-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-tritylamino]ethyl]hydrazinyl]-3-oxopropyl] 5-[(2R,4R,5R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-methyloxan-2-yl]oxy-4-oxopentanoate;N'-(2-aminoethyl)pentane-1,5-diamine;N'-[2-[2-aminoethyl(trityl)amino]ethyl]ethane-1,2-diamine;deuterio(methylsulfanyl)methane;2,2-dichloroacetic acid;N,N-diethylethanamine;ethyl acetate;methane;2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethylamino]ethyl]acetamide;2,2,2-trifluoro-N-[2-[(2,2,2-trifluoroacetyl)-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl-tritylamino]ethyl]amino]ethyl]acetamide;tetrakis(vanadium)?
The InChIKey is FHWQRPBDRQEPNX-LWNJYDNCSA-N. The full InChI is InChI=1S/C80H110N6O28.C31H29F9N4O3.C25H32N4.C12H15F9N4O3.C7H19N3.C6H15N.C4H8O2.C2H2Cl2O2.C2H6S.CH4.4V/c1-48-71(82-51(4)87)78(113-64(45-104-53(6)89)73(48)108-56(9)92)102-41-24-22-32-67(97)81-37-38-85(80(60-26-16-13-17-27-60,61-28-18-14-19-29-61)62-30-20-15-21-31-62)39-40-86(69(99)33-23-25-42-103-79-72(83-52(5)88)49(2)74(109-57(10)93)65(114-79)46-105-54(7)90)84-68(98)36-43-101-70(100)35-34-63(96)44-107-77-50(3)75(110-58(11)94)76(111-59(12)95)66(112-77)47-106-55(8)91;32-29(33,34)25(45)41-16-18-43(27(47)31(38,39)40)20-21-44(19-17-42-26(46)30(35,36)37)28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;26-16-18-28-19-21-29(20-17-27)25(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;13-10(14,15)7(26)23-2-1-22-3-5-25(9(28)12(19,20)21)6-4-24-8(27)11(16,17)18;8-4-2-1-3-6-10-7-5-9;1-4-7(5-2)6-3;1-3-6-4(2)5;3-1(4)2(5)6;1-3-2;;;;;/h13-21,26-31,48-50,64-66,71-79H,22-25,32-47H2,1-12H3,(H,81,97)(H,82,87)(H,83,88)(H,84,98);1-15H,16-21H2,(H,41,45)(H,42,46);1-15,28H,16-21,26-27H2;22H,1-6H2,(H,23,26)(H,24,27);10H,1-9H2;4-6H2,1-3H3;3H2,1-2H3;1H,(H,5,6);1-2H3;1H4;;;;/t48-,49?,50?,64?,65?,66?,71?,72-,73-,74+,75-,76+,77-,78-,79+;;;;;;;;;;;;;/m1............./s1/i;;;;;;;;1D;;;;;.
What are the key properties of [3-[2-[5-[(2S,3R,5S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl]-2-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-tritylamino]ethyl]hydrazinyl]-3-oxopropyl] 5-[(2R,4R,5R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-methyloxan-2-yl]oxy-4-oxopentanoate;N'-(2-aminoethyl)pentane-1,5-diamine;N'-[2-[2-aminoethyl(trityl)amino]ethyl]ethane-1,2-diamine;deuterio(methylsulfanyl)methane;2,2-dichloroacetic acid;N,N-diethylethanamine;ethyl acetate;methane;2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethylamino]ethyl]acetamide;2,2,2-trifluoro-N-[2-[(2,2,2-trifluoroacetyl)-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl-tritylamino]ethyl]amino]ethyl]acetamide;tetrakis(vanadium)?
[3-[2-[5-[(2S,3R,5S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl]-2-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-tritylamino]ethyl]hydrazinyl]-3-oxopropyl] 5-[(2R,4R,5R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-methyloxan-2-yl]oxy-4-oxopentanoate;N'-(2-aminoethyl)pentane-1,5-diamine;N'-[2-[2-aminoethyl(trityl)amino]ethyl]ethane-1,2-diamine;deuterio(methylsulfanyl)methane;2,2-dichloroacetic acid;N,N-diethylethanamine;ethyl acetate;methane;2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethylamino]ethyl]acetamide;2,2,2-trifluoro-N-[2-[(2,2,2-trifluoroacetyl)-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl-tritylamino]ethyl]amino]ethyl]acetamide;tetrakis(vanadium) has a molecular weight of 3849.63 g/mol, XLogP of 16.64, 89 rotatable bonds, 16 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[5-[(2S,3R,5S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl]-2-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-tritylamino]ethyl]hydrazinyl]-3-oxopropyl] 5-[(2R,4R,5R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-methyloxan-2-yl]oxy-4-oxopentanoate;N'-(2-aminoethyl)pentane-1,5-diamine;N'-[2-[2-aminoethyl(trityl)amino]ethyl]ethane-1,2-diamine;deuterio(methylsulfanyl)methane;2,2-dichloroacetic acid;N,N-diethylethanamine;ethyl acetate;methane;2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethylamino]ethyl]acetamide;2,2,2-trifluoro-N-[2-[(2,2,2-trifluoroacetyl)-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl-tritylamino]ethyl]amino]ethyl]acetamide;tetrakis(vanadium) is sourced from PubChem (CID 163648183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).