Primary record
Irdye 700DX
- CAS
- 916821-46-0
- PubChem CID
- 102004325
- SMILES
- C[Si](C)(CCC[N+](CCCS(=O)(=O)[O-])(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])O[Si]1(N2C3=C4C=CC=CC4=C2N=C5C6=C(C=CC=C6OCCCOC(=O)NCCCCCC(=O)ON7C(=O)CCC7=O)C(=N5)N=C8N1C(=NC9=NC(=N3)C1=CC=CC=C19)C1=CC=CC=C18)O[Si](C)(C)CCC[N+](CCCS(=O)(=O)[O-])(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
- Molecular Formula
- C74H96N12Na4O27S6Si3
- Molecular Weight
- 1954.259
- Exact Mass
- 1952.3731
- InChI
- InChI=1S/C74H100N12O27S6Si3.4Na/c1-120(2,52-21-42-85(36-15-46-114(91,92)93,37-16-47-115(94,95)96)38-17-48-116(97,98)99)112-122(113-121(3,4)53-22-43-86(39-18-49-117(100,101)102,40-19-50-118(103,104)105)41-20-51-119(106,107)108)83-70-56-26-9-10-27-57(56)72(83)80-68-60-30-14-31-61(109-44-23-45-110-74(90)75-35-13-5-6-32-64(89)111-82-62(87)33-34-63(82)88)65(60)69(77-68)81-73-59-29-12-11-28-58(59)71(84(73)122)79-67-55-25-8-7-24-54(55)66(76-67)78-70;;;;/h7-12,14,24-31H,5-6,13,15-23,32-53H2,1-4H3,(H5-2,75,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108);;;;/q;4*+1/p-4
- InChIKey
- NTBCSBGVMJMABW-UHFFFAOYSA-J
- LogP
- -7.4809
- TPSA
- 556.92
Names and synonyms
- Irdye 700DX
- Irdye 700dx NHS ester
- C51A2YUX4N
- UNII-C51A2YUX4N
- SCHEMBL29372588
- DA-74527
- 916821-46-0
- Silicate(4-), (2,5-dioxo-1-pyrrolidinyl 6-(((3-((29H,31H-phthalocyanin-1-yl-kappaN29,kappaN30,kappaN31,kappaN32)oxy)propoxy)carbonyl)amino)hexanoato(2-))bis(N-(3-((hydroxy-kappaO)dimethylsilyl)propyl)-3-sulfo-N,N-bis(3-sulfopropyl)-1-propanamin
- SILICATE(4-), (2,5-DIOXO-1-PYRROLIDINYL 6-(((3-((29H,31H-PHTHALOCYANIN-1-YL-.KAPPA.N29,.KAPPA.N30,.KAPPA.N31,.KAPPA.N32)OXY)PROPOXY)CARBONYL)AMINO)HEXANOATO(2-))BIS(N-(3-((HYDROXY-.KAPPA.O)DIMETHYLSILYL)PROPYL)-3-SULFO-N,N-BIS(3-SULFOPROPYL)-1-PROPANAMINIUMATO(4-))-, SODIUM (1:4), (OC-6-13)-
- tetrasodium;3-[3-[[38-[dimethyl-[3-[tris(3-sulfonatopropyl)azaniumyl]propyl]silyl]oxy-12-[3-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]carbamoyloxy]propoxy]-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11(16),12,14,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl]oxy-dimethylsilyl]propyl-bis(3-sulfonatopropyl)azaniumyl]propane-1-sulfonate