Basic Information |
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Product Name: | NI, NII, NIII, NIV, NV, NVI, NVII, NVIII-OCTAACETYLCHITOOCTAOSE |
CAS: | 83143-57-1 |
English Synonyms: | OCTA-N-ACETYLCHITOOCTAOSE ; NI, NII, NIII, NIV, NV, NVI, NVII, NVIII-OCTAACETYLCHITOOCTAOSE |
MDL Number.: | MFCD01310902 |
H bond acceptor: | 49 |
H bond donor: | 26 |
Smile: | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)NC(=O)C)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(=O)C)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)NC(=O)C)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(=O)C)O)CO)CO)CO)CO)CO)CO)CO)O)O |
InChi: | InChI=1S/C64H106N8O41/c1-18(82)65-26(9-73)42(91)51(27(90)10-74)107-59-36(67-20(3)84)45(94)53(29(12-76)101-59)109-61-38(69-22(5)86)47(96)55(31(14-78)103-61)111-63-40(71-24(7)88)49(98)57(33(16-80)105-63)113-64-41(72-25(8)89)50(99)56(34(17-81)106-64)112-62-39(70-23(6)87)48(97)54(32(15-79)104-62)110-60-37(68-21(4)85)46(95)52(30(13-77)102-60)108-58-35(66-19(2)83)44(93)43(92)28(11-75)100-58/h9,26-64,74-81,90-99H,10-17H2,1-8H3,(H,65,82)(H,66,83)(H,67,84)(H,68,85)(H,69,86)(H,70,87)(H,71,88)(H,72,89)/t26-,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58-,59-,60-,61-,62-,63-,64-/m0/s1 |
InChiKey: | InChIKey=XAXRGODYJZBICA-XEQPMRAWSA-N |
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