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(2S)-2-[[4-[4-[2-[4-[[4-[[(1S)-1-carboxy-3-hydroxy-3-oxo-propyl]amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]-3-sulfo-anilino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]butanedioic acid (111818-76-9)

Identification
Name:(2S)-2-[[4-[4-[2-[4-[[4-[[(1S)-1-carboxy-3-hydroxy-3-oxo-propyl]amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]-3-sulfo-anilino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]butanedioic acid
Synonyms:(2S,2'S)-;LogP
CAS:111818-76-9
Molecular Formula: C40H36N12O26S6
Molecular Weight: 1293.17
InChI: InChI=1/C40H36N12O26S6/c53-31(54)15-25(33(57)58)45-39-49-35(47-37(51-39)43-23-13-21(79(61,62)63)7-9-27(23)81(67,68)69)41-19-5-3-17(29(11-19)83(73,74)75)1-2-18-4-6-20(12-30(18)84(76,77)78)42-36-48-38(52-40(50-36)46-26(34(59)60)16-32(55)56)44-24-14-22(80(64,65)66)8-10-28(24)82(70,71)72/h1-14,25-26H,15-16H2,(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H3,41,43,45,47,49,51)(H3,42,44,46,48,50,52)/t25-,26-/m0/s1
Molecular Structure: (C40H36N12O26S6) (2S,2'S)-;LogP
Properties
Density:1.989g/cm3
Refractive index:1.784
Safety Data
 

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