Sulfated .alpha.cd-azt

Structural Information

Molecular Formula

C₅₀H₇₅N₅O₈₇S₁₇

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CCC(=O)OCC3C4C(C(C(O3)OC5C(OC(C(C5OS(=O)(=O)O)OS(=O)(=O)O)OC6C(OC(C(C6OS(=O)(=O)O)OS(=O)(=O)O)OC7C(OC(C(C7OS(=O)(=O)O)OS(=O)(=O)O)OC8C(OC(C(C8OS(=O)(=O)O)OS(=O)(=O)O)OC9C(OC(O4)C(C9OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)N=[N+]=[N-]

InChI

InChI=1S/C50H75N5O87S17/c1-13-5-55(50(59)52-43(13)58)22-4-14(53-54-51)15(118-22)6-111-23(56)2-3-24(57)112-7-16-25-31(131-148(75,76)77)37(137-154(93,94)95)44(119-16)126-26-17(8-113-143(60,61)62)121-46(39(139-156(99,100)101)32(26)132-149(78,79)80)128-28-19(10-115-145(66,67)68)123-48(41(141-158(105,106)107)34(28)134-151(84,85)86)130-30-21(12-117-147(72,73)74)124-49(42(142-159(108,109)110)36(30)136-153(90,91)92)129-29-20(11-116-146(69,70)71)122-47(40(140-157(102,103)104)35(29)135-152(87,88)89)127-27-18(9-114-144(63,64)65)120-45(125-25)38(138-155(96,97)98)33(27)133-150(81,82)83/h5,14-22,25-42,44-49H,2-4,6-12H2,1H3,(H,52,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H,102,103,104)(H,105,106,107)(H,108,109,110)/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

SOKWBZFJOMSJGY-GRWJNAFVSA-N

Compound name

1-O-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] 4-O-[[31,32,33,34,35,36,37,38,39,40,41,42-dodecasulfooxy-10,15,20,25,30-pentakis(sulfooxymethyl)-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 49768181