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′-(dihydrogen 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(=O)(O)S)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:
MLIRFXYSBZNTPJ-LIJSERRLSA-N
Inchi:
InChI=1S/C99H126ClN18O60P9S/c1-45-29-111(92(127)103-84(45)119)75-21-59(67(163-75)37-155-179(135,136)154-18-12-10-11-17-101-83-55-15-13-53(100)19-58(55)102-57-16-14-54(153-9)20-56(57)83)171-180(137,138)156-38-68-60(22-76(164-68)112-30-46(2)85(120)104-93(112)128)172-181(139,140)157-39-69-61(23-77(165-69)113-31-47(3)86(121)105-94(113)129)173-182(141,142)158-40-70-62(24-78(166-70)114-32-48(4)87(122)106-95(114)130)174-183(143,144)159-41-71-63(25-79(167-71)115-33-49(5)88(123)107-96(115)131)175-184(145,146)160-42-72-64(26-80(168-72)116-34-50(6)89(124)108-97(116)132)176-185(147,148)161-43-73-65(27-81(169-73)117-35-51(7)90(125)109-98(117)133)177-186(149,150)162-44-74-66(178-187(151,152)188)28-82(170-74)118-36-52(8)91(126)110-99(118)134/h13-16,19-20,29-36,59-82H,10-12,17-18,21-28,37-44H2,1-9H3,(H,101,102)(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,149,150)(H,103,119,127)(H,104,120,128)(H,105,121,129)(H,106,122,130)(H,107,123,131)(H,108,124,132)(H,109,125,133)(H,110,126,134)(H2,151,152,188)/t59-,60-,61-,62-,63-,64-,65-,66-,67+,68+,69+,70+,71+,72+,73+,74+,75-,76-,77-,78-,79-,80-,81-,82-/m0/s1