Synonyms:
α-Thymidine, 5′-O-[[[5-[(6-chloro-2-methoxy-9-acridinyl)amino]pentyl]oxy]hydroxyphosphinyl]-α-thymidylyl-(3′→5′)-α-thymidylyl-(3′→5′)-α-thymidylyl-(3′→5′)-α-thymidylyl-(3′→5′)-α-thymidylyl-(3′→5′)-α-thymidylyl-(3′→5′)-α-thymidylyl-(3′→5′)-, 3′-[S-(carboxymethyl) hydrogen phosphorothioate] (9CI)
Appearance:
Storage:
Store in 2-8°C for long term (months)
Boiling point:
Melting point:
Flash point:
Smiles:
N(CCCCCOP(OC[C@@H]1[C@@H](OP(OC[C@@H]2[C@@H](OP(OC[C@@H]3[C@@H](OP(OC[C@@H]4[C@@H](OP(OC[C@@H]5[C@@H](OP(OC[C@@H]6[C@@H](OP(OC[C@@H]7[C@@H](OP(OC[C@@H]8[C@@H](OP(SCC(O)=O)(=O)O)C[C@H](O8)N9C(=O)NC(=O)C(C)=C9)(=O)O)C[C@H](O7)N%10C(=O)NC(=O)C(C)=C%10)(=O)O)C[C@H](O6)N%11C(=O)NC(=O)C(C)=C%11)(=O)O)C[C@H](O5)N%12C(=O)NC(=O)C(C)=C%12)(=O)O)C[C@H](O4)N%13C(=O)NC(=O)C(C)=C%13)(=O)O)C[C@H](O3)N%14C(=O)NC(=O)C(C)=C%14)(=O)O)C[C@H](O2)N%15C(=O)NC(=O)C(C)=C%15)(=O)O)C[C@H](O1)N%16C(=O)NC(=O)C(C)=C%16)(=O)O)C=%17C%18=C(N=C%19C%17C=CC(Cl)=C%19)C=CC(OC)=C%18
InchiKey:
INHKSTPOUKVNGP-ZKRLKNKQSA-N
Inchi:
InChI=1S/C101H128ClN18O62P9S/c1-46-29-113(94(131)105-86(46)123)76-21-60(68(167-76)37-159-183(139,140)158-18-12-10-11-17-103-85-56-15-13-54(102)19-59(56)104-58-16-14-55(157-9)20-57(58)85)175-184(141,142)160-38-69-61(22-77(168-69)114-30-47(2)87(124)106-95(114)132)176-185(143,144)161-39-70-62(23-78(169-70)115-31-48(3)88(125)107-96(115)133)177-186(145,146)162-40-71-63(24-79(170-71)116-32-49(4)89(126)108-97(116)134)178-187(147,148)163-41-72-64(25-80(171-72)117-33-50(5)90(127)109-98(117)135)179-188(149,150)164-42-73-65(26-81(172-73)118-34-51(6)91(128)110-99(118)136)180-189(151,152)165-43-74-66(27-82(173-74)119-35-52(7)92(129)111-100(119)137)181-190(153,154)166-44-75-67(182-191(155,156)192-45-84(121)122)28-83(174-75)120-36-53(8)93(130)112-101(120)138/h13-16,19-20,29-36,60-83H,10-12,17-18,21-28,37-45H2,1-9H3,(H,103,104)(H,121,122)(H,139,140)(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,105,123,131)(H,106,124,132)(H,107,125,133)(H,108,126,134)(H,109,127,135)(H,110,128,136)(H,111,129,137)(H,112,130,138)/t60-,61-,62-,63-,64-,65-,66-,67-,68+,69+,70+,71+,72+,73+,74+,75+,76-,77-,78-,79-,80-,81-,82-,83-/m0/s1