.beta.cd-azt

Structural Information

Molecular Formula

C₅₆H₈₅N₅O₄₁

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CCC(=O)OC[C@@H]3[C@@H]4[C@@H]([C@H]([C@H](O3)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]([C@@H]([C@H]9O)O)O[C@@H]1[C@H](O[C@H](O4)[C@@H]([C@H]1O)O)CO)CO)CO)CO)CO)CO)O)O)N=[N+]=[N-]

InChI

InChI=1S/C56H85N5O41/c1-14-5-61(56(85)58-48(14)84)24-4-15(59-60-57)22(88-24)12-86-25(68)2-3-26(69)87-13-23-47-33(76)40(83)55(95-23)101-46-21(11-67)93-53(38(81)31(46)74)99-44-19(9-65)91-51(36(79)29(44)72)97-42-17(7-63)89-49(34(77)27(42)70)96-41-16(6-62)90-50(35(78)28(41)71)98-43-18(8-64)92-52(37(80)30(43)73)100-45-20(10-66)94-54(102-47)39(82)32(45)75/h5,15-24,27-47,49-55,62-67,70-83H,2-4,6-13H2,1H3,(H,58,84,85)/t15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,49+,50+,51+,52+,53+,54+,55+/m0/s1

InChIKey

SOLURLHNRPDZLX-FBJBGUOSSA-N

Compound name

1-O-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] 4-O-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methyl] butanedioate

Related CIDs

• CID 49768180