About tetracosasodium;hydrogen sulfate;[2-methanidyl-6-[2-methanidyl-6-[6-[3-[2-[2-[11-[3-[3-[15-[2-[2-[3-[6-[6-methanidyl-5-[(6-methanidyl-4-sulfonatooxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-2-yl)oxy]-3,4-disulfonatooxyoxan-2-yl]oxyhexylamino]-3-oxopropoxy]ethoxy]ethoxy]-3,12-dioxopentadecoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoylamino]hexoxy]-4,5-disulfonatooxyoxan-3-yl]oxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-4-yl] sulfate;[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-2-[8-[2-[2-[2-[[12-[3-[12-[2-[2-[2-[10-[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-oxodecoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]-6-oxooctoxy]-6-(sulfonatooxymethyl)oxan-3-yl] sulfate
tetracosasodium;hydrogen sulfate;[2-methanidyl-6-[2-methanidyl-6-[6-[3-[2-[2-[11-[3-[3-[15-[2-[2-[3-[6-[6-methanidyl-5-[(6-methanidyl-4-sulfonatooxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-2-yl)oxy]-3,4-disulfonatooxyoxan-2-yl]oxyhexylamino]-3-oxopropoxy]ethoxy]ethoxy]-3,12-dioxopentadecoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoylamino]hexoxy]-4,5-disulfonatooxyoxan-3-yl]oxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-4-yl] sulfate;[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-2-[8-[2-[2-[2-[[12-[3-[12-[2-[2-[2-[10-[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-oxodecoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]-6-oxooctoxy]-6-(sulfonatooxymethyl)oxan-3-yl] sulfate (PubChem CID 161014514) has the molecular formula C169H291N5Na24O140S24-8
and a molecular weight of 5954.45 g/mol. Its IUPAC name is tetracosasodium;hydrogen sulfate;[2-methanidyl-6-[2-methanidyl-6-[6-[3-[2-[2-[11-[3-[3-[15-[2-[2-[3-[6-[6-methanidyl-5-[(6-methanidyl-4-sulfonatooxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-2-yl)oxy]-3,4-disulfonatooxyoxan-2-yl]oxyhexylamino]-3-oxopropoxy]ethoxy]ethoxy]-3,12-dioxopentadecoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoylamino]hexoxy]-4,5-disulfonatooxyoxan-3-yl]oxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-4-yl] sulfate;[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-2-[8-[2-[2-[2-[[12-[3-[12-[2-[2-[2-[10-[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-oxodecoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]-6-oxooctoxy]-6-(sulfonatooxymethyl)oxan-3-yl] sulfate.
Frequently Asked Questions
What is the IUPAC name of tetracosasodium;hydrogen sulfate;[2-methanidyl-6-[2-methanidyl-6-[6-[3-[2-[2-[11-[3-[3-[15-[2-[2-[3-[6-[6-methanidyl-5-[(6-methanidyl-4-sulfonatooxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-2-yl)oxy]-3,4-disulfonatooxyoxan-2-yl]oxyhexylamino]-3-oxopropoxy]ethoxy]ethoxy]-3,12-dioxopentadecoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoylamino]hexoxy]-4,5-disulfonatooxyoxan-3-yl]oxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-4-yl] sulfate;[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-2-[8-[2-[2-[2-[[12-[3-[12-[2-[2-[2-[10-[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-oxodecoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]-6-oxooctoxy]-6-(sulfonatooxymethyl)oxan-3-yl] sulfate?
The IUPAC name of tetracosasodium;hydrogen sulfate;[2-methanidyl-6-[2-methanidyl-6-[6-[3-[2-[2-[11-[3-[3-[15-[2-[2-[3-[6-[6-methanidyl-5-[(6-methanidyl-4-sulfonatooxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-2-yl)oxy]-3,4-disulfonatooxyoxan-2-yl]oxyhexylamino]-3-oxopropoxy]ethoxy]ethoxy]-3,12-dioxopentadecoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoylamino]hexoxy]-4,5-disulfonatooxyoxan-3-yl]oxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-4-yl] sulfate;[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-2-[8-[2-[2-[2-[[12-[3-[12-[2-[2-[2-[10-[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-oxodecoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]-6-oxooctoxy]-6-(sulfonatooxymethyl)oxan-3-yl] sulfate (CID 161014514) is tetracosasodium;hydrogen sulfate;[2-methanidyl-6-[2-methanidyl-6-[6-[3-[2-[2-[11-[3-[3-[15-[2-[2-[3-[6-[6-methanidyl-5-[(6-methanidyl-4-sulfonatooxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-2-yl)oxy]-3,4-disulfonatooxyoxan-2-yl]oxyhexylamino]-3-oxopropoxy]ethoxy]ethoxy]-3,12-dioxopentadecoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoylamino]hexoxy]-4,5-disulfonatooxyoxan-3-yl]oxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-4-yl] sulfate;[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-2-[8-[2-[2-[2-[[12-[3-[12-[2-[2-[2-[10-[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-oxodecoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]-6-oxooctoxy]-6-(sulfonatooxymethyl)oxan-3-yl] sulfate.
What is the SMILES notation for tetracosasodium;hydrogen sulfate;[2-methanidyl-6-[2-methanidyl-6-[6-[3-[2-[2-[11-[3-[3-[15-[2-[2-[3-[6-[6-methanidyl-5-[(6-methanidyl-4-sulfonatooxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-2-yl)oxy]-3,4-disulfonatooxyoxan-2-yl]oxyhexylamino]-3-oxopropoxy]ethoxy]ethoxy]-3,12-dioxopentadecoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoylamino]hexoxy]-4,5-disulfonatooxyoxan-3-yl]oxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-4-yl] sulfate;[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-2-[8-[2-[2-[2-[[12-[3-[12-[2-[2-[2-[10-[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-oxodecoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]-6-oxooctoxy]-6-(sulfonatooxymethyl)oxan-3-yl] sulfate?
The canonical SMILES for tetracosasodium;hydrogen sulfate;[2-methanidyl-6-[2-methanidyl-6-[6-[3-[2-[2-[11-[3-[3-[15-[2-[2-[3-[6-[6-methanidyl-5-[(6-methanidyl-4-sulfonatooxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-2-yl)oxy]-3,4-disulfonatooxyoxan-2-yl]oxyhexylamino]-3-oxopropoxy]ethoxy]ethoxy]-3,12-dioxopentadecoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoylamino]hexoxy]-4,5-disulfonatooxyoxan-3-yl]oxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-4-yl] sulfate;[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-2-[8-[2-[2-[2-[[12-[3-[12-[2-[2-[2-[10-[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-oxodecoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]-6-oxooctoxy]-6-(sulfonatooxymethyl)oxan-3-yl] sulfate is CC1C(OC2OC(COS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(C)C2OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])OC(OCCCCCCCC(=O)CCOCCOCCOCCNC(=O)CCCCCCCCC(=O)CCOCCCOCCC(=O)CCCCCCCCC(=O)NCCOCCOCCOCCC(=O)CCCCCOC2OC(COS(=O)(=O)[O-])C(OC3OC(COS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(C)C3OS(=O)(=O)[O-])C(C)C2OS(=O)(=O)[O-])C1OS(=O)(=O)[O-].O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.[CH2-]C1[CH-]C(OS(=O)(=O)[O-])[CH-]C(OC2C([CH2-])OC(OCCCCCCNC(=O)CCOCCOCCOCCCC(=O)CCCCCCCCC(=O)CCOCC(C)(C)COCCC(=O)NCCCCCCCC(=O)CCCOCCOCCOCCC(=O)NCCCCCCOC3OC([CH2-])C(OC4[CH-]C(OS(=O)(=O)[O-])[CH-]C([CH2-])O4)C(OS(=O)(=O)[O-])C3OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C2OS(=O)(=O)[O-])O1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetracosasodium;hydrogen sulfate;[2-methanidyl-6-[2-methanidyl-6-[6-[3-[2-[2-[11-[3-[3-[15-[2-[2-[3-[6-[6-methanidyl-5-[(6-methanidyl-4-sulfonatooxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-2-yl)oxy]-3,4-disulfonatooxyoxan-2-yl]oxyhexylamino]-3-oxopropoxy]ethoxy]ethoxy]-3,12-dioxopentadecoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoylamino]hexoxy]-4,5-disulfonatooxyoxan-3-yl]oxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-4-yl] sulfate;[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-2-[8-[2-[2-[2-[[12-[3-[12-[2-[2-[2-[10-[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-oxodecoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]-6-oxooctoxy]-6-(sulfonatooxymethyl)oxan-3-yl] sulfate?
The InChIKey is ROZDXRJURRAVSI-UHFFFAOYSA-A. The full InChI is InChI=1S/C85H154N2O62S10.C84H145N3O46S6.24Na.8H2O4S/c1-60-74(142-84-80(148-158(118,119)120)62(3)76(144-154(106,107)108)70(140-84)58-136-152(100,101)102)68(56-134-150(94,95)96)138-82(78(60)146-156(112,113)114)132-40-23-15-9-12-19-28-66(90)34-44-126-48-52-130-54-50-128-46-36-86-72(92)30-21-13-7-5-10-17-26-64(88)32-42-124-38-25-39-125-43-33-65(89)27-18-11-6-8-14-22-31-73(93)87-37-47-129-51-55-131-53-49-127-45-35-67(91)29-20-16-24-41-133-83-79(147-157(115,116)117)61(2)75(69(139-83)57-135-151(97,98)99)143-85-81(149-159(121,122)123)63(4)77(145-155(109,110)111)71(141-85)59-137-153(103,104)105;1-62-56-69(128-134(94,95)96)58-74(122-62)126-76-64(3)124-82(80(132-138(106,107)108)78(76)130-136(100,101)102)120-42-24-16-14-22-38-85-71(91)34-45-114-50-54-116-52-48-112-40-26-31-66(88)28-18-10-7-8-11-20-30-68(90)33-44-118-60-84(5,6)61-119-47-36-73(93)87-37-21-13-9-12-19-29-67(89)32-27-41-113-49-53-117-55-51-115-46-35-72(92)86-39-23-15-17-25-43-121-83-81(133-139(109,110)111)79(131-137(103,104)105)77(65(4)125-83)127-75-59-70(57-63(2)123-75)129-135(97,98)99;;;;;;;;;;;;;;;;;;;;;;;;;8*1-5(2,3)4/h60-63,68-71,74-85H,5-59H2,1-4H3,(H,86,92)(H,87,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H,103,104,105)(H,106,107,108)(H,109,110,111)(H,112,113,114)(H,115,116,117)(H,118,119,120)(H,121,122,123);56-59,62-65,69-70,74-83H,1-4,7-55,60-61H2,5-6H3,(H,85,91)(H,86,92)(H,87,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H,103,104,105)(H,106,107,108)(H,109,110,111);;;;;;;;;;;;;;;;;;;;;;;;;8*(H2,1,2,3,4)/q;-8;24*+1;;;;;;;;/p-24.
What are the key properties of tetracosasodium;hydrogen sulfate;[2-methanidyl-6-[2-methanidyl-6-[6-[3-[2-[2-[11-[3-[3-[15-[2-[2-[3-[6-[6-methanidyl-5-[(6-methanidyl-4-sulfonatooxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-2-yl)oxy]-3,4-disulfonatooxyoxan-2-yl]oxyhexylamino]-3-oxopropoxy]ethoxy]ethoxy]-3,12-dioxopentadecoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoylamino]hexoxy]-4,5-disulfonatooxyoxan-3-yl]oxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-4-yl] sulfate;[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-2-[8-[2-[2-[2-[[12-[3-[12-[2-[2-[2-[10-[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-oxodecoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]-6-oxooctoxy]-6-(sulfonatooxymethyl)oxan-3-yl] sulfate?
tetracosasodium;hydrogen sulfate;[2-methanidyl-6-[2-methanidyl-6-[6-[3-[2-[2-[11-[3-[3-[15-[2-[2-[3-[6-[6-methanidyl-5-[(6-methanidyl-4-sulfonatooxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-2-yl)oxy]-3,4-disulfonatooxyoxan-2-yl]oxyhexylamino]-3-oxopropoxy]ethoxy]ethoxy]-3,12-dioxopentadecoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoylamino]hexoxy]-4,5-disulfonatooxyoxan-3-yl]oxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-4-yl] sulfate;[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-2-[8-[2-[2-[2-[[12-[3-[12-[2-[2-[2-[10-[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-oxodecoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]-6-oxooctoxy]-6-(sulfonatooxymethyl)oxan-3-yl] sulfate has a molecular weight of 5954.45 g/mol, XLogP of -78.09, 181 rotatable bonds, 13 hydrogen bond donors, and 132 hydrogen bond acceptors.
Where does this data come from?
All data for tetracosasodium;hydrogen sulfate;[2-methanidyl-6-[2-methanidyl-6-[6-[3-[2-[2-[11-[3-[3-[15-[2-[2-[3-[6-[6-methanidyl-5-[(6-methanidyl-4-sulfonatooxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-2-yl)oxy]-3,4-disulfonatooxyoxan-2-yl]oxyhexylamino]-3-oxopropoxy]ethoxy]ethoxy]-3,12-dioxopentadecoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoylamino]hexoxy]-4,5-disulfonatooxyoxan-3-yl]oxy-3,4,5,6-tetrahydro-2H-pyran-3,5-diid-4-yl] sulfate;[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-2-[8-[2-[2-[2-[[12-[3-[12-[2-[2-[2-[10-[4-methyl-5-[4-methyl-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3-oxodecoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]-6-oxooctoxy]-6-(sulfonatooxymethyl)oxan-3-yl] sulfate is sourced from PubChem (CID 161014514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).