Basic Information |
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Product Name: | MONO(6-PHENYLAMINO-6-DEOXY)-BETA-CYCLODEXTRIN |
CAS: | 162615-68-1 ;163016-93-1 |
English Synonyms: | MONO(6-PHENYLAMINO-6-DEOXY)-BETA-CYCLODEXTRIN |
MDL Number.: | MFCD22200977 |
H bond acceptor: | 35 |
H bond donor: | 21 |
Smile: | c1ccc(cc1)NC[C@@H]2[C@@H]3[C@@H]([C@H]([C@H](O2)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O3)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)O)O |
InChi: | InChI=1S/C48H75NO34/c50-7-15-36-23(58)30(65)44(72-15)80-38-17(9-52)74-46(32(67)25(38)60)82-40-19(11-54)76-48(34(69)27(40)62)83-41-20(12-55)75-47(33(68)26(41)61)81-39-18(10-53)73-45(31(66)24(39)59)79-37-16(8-51)71-43(29(64)22(37)57)77-35-14(6-49-13-4-2-1-3-5-13)70-42(78-36)28(63)21(35)56/h1-5,14-69H,6-12H2/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m1/s1 |
InChiKey: | InChIKey=YOOJJQDGIWZVQR-IHHCOHTPSA-N |
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