About [(3R,4R,6R)-5-acetamido-6-[5-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl]amino]ethylamino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;[(3R,4R,6R)-5-acetamido-6-[5-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanoyl]amino]ethyl]amino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;N,N-diethylethanamine;2-hydroxybutanoic acid;methane;oxolane-2,5-dione;bis(vanadium)
[(3R,4R,6R)-5-acetamido-6-[5-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl]amino]ethylamino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;[(3R,4R,6R)-5-acetamido-6-[5-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanoyl]amino]ethyl]amino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;N,N-diethylethanamine;2-hydroxybutanoic acid;methane;oxolane-2,5-dione;bis(vanadium) (PubChem CID 158890952) has the molecular formula C159H251N15O59V2
and a molecular weight of 3418.69 g/mol. Its IUPAC name is [(3R,4R,6R)-5-acetamido-6-[5-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl]amino]ethylamino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;[(3R,4R,6R)-5-acetamido-6-[5-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanoyl]amino]ethyl]amino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;N,N-diethylethanamine;2-hydroxybutanoic acid;methane;oxolane-2,5-dione;bis(vanadium).
Frequently Asked Questions
What is the IUPAC name of [(3R,4R,6R)-5-acetamido-6-[5-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl]amino]ethylamino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;[(3R,4R,6R)-5-acetamido-6-[5-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanoyl]amino]ethyl]amino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;N,N-diethylethanamine;2-hydroxybutanoic acid;methane;oxolane-2,5-dione;bis(vanadium)?
The IUPAC name of [(3R,4R,6R)-5-acetamido-6-[5-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl]amino]ethylamino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;[(3R,4R,6R)-5-acetamido-6-[5-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanoyl]amino]ethyl]amino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;N,N-diethylethanamine;2-hydroxybutanoic acid;methane;oxolane-2,5-dione;bis(vanadium) (CID 158890952) is [(3R,4R,6R)-5-acetamido-6-[5-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl]amino]ethylamino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;[(3R,4R,6R)-5-acetamido-6-[5-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanoyl]amino]ethyl]amino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;N,N-diethylethanamine;2-hydroxybutanoic acid;methane;oxolane-2,5-dione;bis(vanadium).
What is the SMILES notation for [(3R,4R,6R)-5-acetamido-6-[5-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl]amino]ethylamino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;[(3R,4R,6R)-5-acetamido-6-[5-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanoyl]amino]ethyl]amino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;N,N-diethylethanamine;2-hydroxybutanoic acid;methane;oxolane-2,5-dione;bis(vanadium)?
The canonical SMILES for [(3R,4R,6R)-5-acetamido-6-[5-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl]amino]ethylamino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;[(3R,4R,6R)-5-acetamido-6-[5-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanoyl]amino]ethyl]amino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;N,N-diethylethanamine;2-hydroxybutanoic acid;methane;oxolane-2,5-dione;bis(vanadium) is C.CC(=O)NC1[C@H](OCCCCC(=O)NCCNCCN(CCNC(=O)CCCCO[C@@H]2OC(COC(C)=O)[C@H](OC(C)=O)[C@H](C)C2NC(C)=O)C(=O)CCCCO[C@@H]2OC(COC(C)=O)[C@H](OC(C)=O)[C@H](C)C2NC(C)=O)OC(COC(C)=O)[C@H](OC(C)=O)[C@@H]1C.CCC(O)C(=O)O.CCN(CC)CC.COc1ccc(C(OCC(O)C(=O)N(CCNC(=O)CCCCO[C@@H]2OC(COC(C)=O)[C@H](OC(C)=O)[C@H](C)C2NC(C)=O)CCN(CCNC(=O)CCCCO[C@@H]2OC(COC(C)=O)[C@H](OC(C)=O)[C@H](C)C2NC(C)=O)C(=O)CCCCO[C@@H]2OC(COC(C)=O)[C@H](OC(C)=O)[C@H](C)C2NC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1.O=C1CCC(=O)O1.[V].[V].
What is the InChIKey of [(3R,4R,6R)-5-acetamido-6-[5-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl]amino]ethylamino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;[(3R,4R,6R)-5-acetamido-6-[5-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanoyl]amino]ethyl]amino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;N,N-diethylethanamine;2-hydroxybutanoic acid;methane;oxolane-2,5-dione;bis(vanadium)?
The InChIKey is FHCONGSKTBYUJX-XNKQFAJBSA-N. The full InChI is InChI=1S/C84H121N7O29.C60H99N7O24.C6H15N.C4H4O3.C4H8O3.CH4.2V/c1-50-74(87-53(4)92)81(118-68(47-111-56(7)95)77(50)115-59(10)98)108-43-21-18-26-71(102)85-37-39-90(73(104)28-20-23-45-110-83-76(89-55(6)94)52(3)79(117-61(12)100)70(120-83)49-113-58(9)97)41-42-91(40-38-86-72(103)27-19-22-44-109-82-75(88-54(5)93)51(2)78(116-60(11)99)69(119-82)48-112-57(8)96)80(105)67(101)46-114-84(62-24-16-15-17-25-62,63-29-33-65(106-13)34-30-63)64-31-35-66(107-14)36-32-64;1-34-52(64-37(4)68)58(89-46(31-83-40(7)71)55(34)86-43(10)74)80-28-16-13-19-49(77)62-23-22-61-24-26-67(51(79)21-15-18-30-82-60-54(66-39(6)70)36(3)57(88-45(12)76)48(91-60)33-85-42(9)73)27-25-63-50(78)20-14-17-29-81-59-53(65-38(5)69)35(2)56(87-44(11)75)47(90-59)32-84-41(8)72;1-4-7(5-2)6-3;5-3-1-2-4(6)7-3;1-2-3(5)4(6)7;;;/h15-17,24-25,29-36,50-52,67-70,74-79,81-83,101H,18-23,26-28,37-49H2,1-14H3,(H,85,102)(H,86,103)(H,87,92)(H,88,93)(H,89,94);34-36,46-48,52-61H,13-33H2,1-12H3,(H,62,77)(H,63,78)(H,64,68)(H,65,69)(H,66,70);4-6H2,1-3H3;1-2H2;3,5H,2H2,1H3,(H,6,7);1H4;;/t50-,51-,52-,67?,68?,69?,70?,74?,75?,76?,77-,78-,79-,81-,82-,83-;34-,35-,36-,46?,47?,48?,52?,53?,54?,55-,56-,57-,58-,59-,60-;;;;;;/m11....../s1.
What are the key properties of [(3R,4R,6R)-5-acetamido-6-[5-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl]amino]ethylamino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;[(3R,4R,6R)-5-acetamido-6-[5-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanoyl]amino]ethyl]amino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;N,N-diethylethanamine;2-hydroxybutanoic acid;methane;oxolane-2,5-dione;bis(vanadium)?
[(3R,4R,6R)-5-acetamido-6-[5-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl]amino]ethylamino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;[(3R,4R,6R)-5-acetamido-6-[5-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanoyl]amino]ethyl]amino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;N,N-diethylethanamine;2-hydroxybutanoic acid;methane;oxolane-2,5-dione;bis(vanadium) has a molecular weight of 3418.69 g/mol, XLogP of 5.86, 92 rotatable bonds, 14 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,6R)-5-acetamido-6-[5-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl]amino]ethylamino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;[(3R,4R,6R)-5-acetamido-6-[5-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoyl-[2-[2-[5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoylamino]ethyl-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanoyl]amino]ethyl]amino]ethylamino]-5-oxopentoxy]-3-acetyloxy-4-methyloxan-2-yl]methyl acetate;N,N-diethylethanamine;2-hydroxybutanoic acid;methane;oxolane-2,5-dione;bis(vanadium) is sourced from PubChem (CID 158890952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).