.alpha.cd-azt

Structural Information

Molecular Formula

C₅₀H₇₅N₅O₃₆

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](O4)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)O)O)N=[N+]=[N-]

InChI

InChI=1S/C50H75N5O36/c1-13-5-55(50(76)52-43(13)75)22-4-14(53-54-51)20(79-22)11-77-23(61)2-3-24(62)78-12-21-42-30(68)36(74)49(85-21)90-41-19(10-60)83-47(34(72)28(41)66)88-39-17(8-58)81-45(32(70)26(39)64)86-37-15(6-56)80-44(31(69)25(37)63)87-38-16(7-57)82-46(33(71)27(38)65)89-40-18(9-59)84-48(91-42)35(73)29(40)67/h5,14-22,25-42,44-49,56-60,63-74H,2-4,6-12H2,1H3,(H,52,75,76)/t14-,15+,16+,17+,18+,19+,20+,21+,22+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,44+,45+,46+,47+,48+,49+/m0/s1

InChIKey

CEWXYASBXHINKM-LXGFRPLZSA-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,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecahydroxy-10,15,20,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methyl] butanedioate

Related CIDs

• CID 49768179