About [2-(dimethylamino)-2-oxoethyl] 5-[6-[2-[[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[deuterio(tritio)boranyl]sulfanyloxy-1-[[1-[[1-[N-(9H-fluoren-9-ylmethoxycarbonyl)carbamimidoyl]-2-tritiooxypiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[2-[3-[2-(dimethylamino)-2-oxoethoxy]carbonyl-4-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]-4-[6-[(4-nitrophenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylsulfanyl]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]ethylsulfanylmethyl]-4-[6-[(4-methylphenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]-2-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]benzoate;fermium
[2-(dimethylamino)-2-oxoethyl] 5-[6-[2-[[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[deuterio(tritio)boranyl]sulfanyloxy-1-[[1-[[1-[N-(9H-fluoren-9-ylmethoxycarbonyl)carbamimidoyl]-2-tritiooxypiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[2-[3-[2-(dimethylamino)-2-oxoethoxy]carbonyl-4-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]-4-[6-[(4-nitrophenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylsulfanyl]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]ethylsulfanylmethyl]-4-[6-[(4-methylphenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]-2-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]benzoate;fermium (PubChem CID 59081358) has the molecular formula C145H207BFm4N24O58P4S3
and a molecular weight of 4478.29 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 5-[6-[2-[[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[deuterio(tritio)boranyl]sulfanyloxy-1-[[1-[[1-[N-(9H-fluoren-9-ylmethoxycarbonyl)carbamimidoyl]-2-tritiooxypiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[2-[3-[2-(dimethylamino)-2-oxoethoxy]carbonyl-4-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]-4-[6-[(4-nitrophenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylsulfanyl]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]ethylsulfanylmethyl]-4-[6-[(4-methylphenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]-2-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]benzoate;fermium.
Frequently Asked Questions
What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 5-[6-[2-[[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[deuterio(tritio)boranyl]sulfanyloxy-1-[[1-[[1-[N-(9H-fluoren-9-ylmethoxycarbonyl)carbamimidoyl]-2-tritiooxypiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[2-[3-[2-(dimethylamino)-2-oxoethoxy]carbonyl-4-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]-4-[6-[(4-nitrophenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylsulfanyl]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]ethylsulfanylmethyl]-4-[6-[(4-methylphenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]-2-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]benzoate;fermium?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 5-[6-[2-[[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[deuterio(tritio)boranyl]sulfanyloxy-1-[[1-[[1-[N-(9H-fluoren-9-ylmethoxycarbonyl)carbamimidoyl]-2-tritiooxypiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[2-[3-[2-(dimethylamino)-2-oxoethoxy]carbonyl-4-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]-4-[6-[(4-nitrophenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylsulfanyl]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]ethylsulfanylmethyl]-4-[6-[(4-methylphenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]-2-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]benzoate;fermium (CID 59081358) is [2-(dimethylamino)-2-oxoethyl] 5-[6-[2-[[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[deuterio(tritio)boranyl]sulfanyloxy-1-[[1-[[1-[N-(9H-fluoren-9-ylmethoxycarbonyl)carbamimidoyl]-2-tritiooxypiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[2-[3-[2-(dimethylamino)-2-oxoethoxy]carbonyl-4-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]-4-[6-[(4-nitrophenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylsulfanyl]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]ethylsulfanylmethyl]-4-[6-[(4-methylphenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]-2-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]benzoate;fermium.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 5-[6-[2-[[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[deuterio(tritio)boranyl]sulfanyloxy-1-[[1-[[1-[N-(9H-fluoren-9-ylmethoxycarbonyl)carbamimidoyl]-2-tritiooxypiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[2-[3-[2-(dimethylamino)-2-oxoethoxy]carbonyl-4-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]-4-[6-[(4-nitrophenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylsulfanyl]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]ethylsulfanylmethyl]-4-[6-[(4-methylphenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]-2-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]benzoate;fermium?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 5-[6-[2-[[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[deuterio(tritio)boranyl]sulfanyloxy-1-[[1-[[1-[N-(9H-fluoren-9-ylmethoxycarbonyl)carbamimidoyl]-2-tritiooxypiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[2-[3-[2-(dimethylamino)-2-oxoethoxy]carbonyl-4-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]-4-[6-[(4-nitrophenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylsulfanyl]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]ethylsulfanylmethyl]-4-[6-[(4-methylphenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]-2-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]benzoate;fermium is [Fm].[Fm].[Fm].[Fm].[H]/N=C(/NC(=O)OCC1c2ccccc2-c2ccccc21)N1CCCC(NC(=O)C(C)NC(=O)C(COSB([2H])[3H])NC(=O)COCCOCCOCCN(CCOCCOCCOCC(=O)NCCCCCCC)C(=O)COCCOCCOCCOCC(=O)N(CCOCCOCCOCC(=O)NCCSCC2OC(n3cnc4c3N=CNC4NCc3ccc(C)cc3)C3OC(c4ccc(OP5(=O)OCC(OP(=O)(O)O)CO5)c(C(=O)OCC(=O)N(C)C)c4)OC23)CCOCCOCCOCC(=O)NCCSCC2OC(n3cnc4c3N=CNC4NCc3ccc([N+](=O)[O-])cc3)C3OC(c4ccc(OP5(=O)OCC(OP(=O)(O)O)CO5)c(C(=O)OCC(=O)N(C)C)c4)OC23)C1O[3H].
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 5-[6-[2-[[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[deuterio(tritio)boranyl]sulfanyloxy-1-[[1-[[1-[N-(9H-fluoren-9-ylmethoxycarbonyl)carbamimidoyl]-2-tritiooxypiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[2-[3-[2-(dimethylamino)-2-oxoethoxy]carbonyl-4-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]-4-[6-[(4-nitrophenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylsulfanyl]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]ethylsulfanylmethyl]-4-[6-[(4-methylphenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]-2-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]benzoate;fermium?
The InChIKey is POQFSJUJGFKKLN-XQMZSDOLSA-N. The full InChI is InChI=1S/C145H207BN24O58P4S3.4Fm/c1-8-9-10-11-16-35-148-117(171)81-205-63-57-199-51-47-195-43-39-166(42-46-198-50-54-202-60-66-208-84-120(174)160-112(80-218-235-146)136(180)159-96(3)135(179)161-111-22-17-38-167(137(111)181)144(147)162-145(184)213-79-110-106-20-14-12-18-104(106)105-19-13-15-21-107(105)110)124(178)86-210-68-62-204-56-55-203-61-67-209-85-123(177)165(40-44-196-48-52-200-58-64-206-82-118(172)149-36-69-233-89-115-127-129(138(219-115)168-93-157-125-131(153-91-155-133(125)168)151-73-97-25-23-95(2)24-26-97)223-142(221-127)99-29-33-113(108(71-99)140(182)211-87-121(175)163(4)5)227-231(193)214-75-102(76-215-231)225-229(187,188)189)41-45-197-49-53-201-59-65-207-83-119(173)150-37-70-234-90-116-128-130(139(220-116)169-94-158-126-132(154-92-156-134(126)169)152-74-98-27-31-101(32-28-98)170(185)186)224-143(222-128)100-30-34-114(109(72-100)141(183)212-88-122(176)164(6)7)228-232(194)216-77-103(78-217-232)226-230(190,191)192;;;;/h12-15,18-21,23-34,71-72,91-94,96,102-103,110-112,115-116,127-132,137-139,142-143,151-152,181H,8-11,16-17,22,35-70,73-90,146H2,1-7H3,(H,148,171)(H,149,172)(H,150,173)(H,153,155)(H,154,156)(H,159,180)(H,160,174)(H,161,179)(H2,147,162,184)(H2,187,188,189)(H2,190,191,192);;;;/i146TD,181T;;;;.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 5-[6-[2-[[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[deuterio(tritio)boranyl]sulfanyloxy-1-[[1-[[1-[N-(9H-fluoren-9-ylmethoxycarbonyl)carbamimidoyl]-2-tritiooxypiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[2-[3-[2-(dimethylamino)-2-oxoethoxy]carbonyl-4-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]-4-[6-[(4-nitrophenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylsulfanyl]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]ethylsulfanylmethyl]-4-[6-[(4-methylphenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]-2-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]benzoate;fermium?
[2-(dimethylamino)-2-oxoethyl] 5-[6-[2-[[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[deuterio(tritio)boranyl]sulfanyloxy-1-[[1-[[1-[N-(9H-fluoren-9-ylmethoxycarbonyl)carbamimidoyl]-2-tritiooxypiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[2-[3-[2-(dimethylamino)-2-oxoethoxy]carbonyl-4-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]-4-[6-[(4-nitrophenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylsulfanyl]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]ethylsulfanylmethyl]-4-[6-[(4-methylphenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]-2-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]benzoate;fermium has a molecular weight of 4478.29 g/mol, XLogP of 4.66, 110 rotatable bonds, 17 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 5-[6-[2-[[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[deuterio(tritio)boranyl]sulfanyloxy-1-[[1-[[1-[N-(9H-fluoren-9-ylmethoxycarbonyl)carbamimidoyl]-2-tritiooxypiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[2-[3-[2-(dimethylamino)-2-oxoethoxy]carbonyl-4-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]-4-[6-[(4-nitrophenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylsulfanyl]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]ethylsulfanylmethyl]-4-[6-[(4-methylphenyl)methylamino]-1,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]-2-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]benzoate;fermium is sourced from PubChem (CID 59081358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).