Synonyms:
β-Alanine, N-[5′-O-[[(2-carboxyethyl)amino]hydroxyphosphinyl]thymidylyl-(3′→5′)-thymidylyl-(3′→5′)-thymidylyl-(3′→5′)-thymidylyl-(3′→5′)-thymidylyl-(3′→5′)-thymidylyl-(3′→5′)-thymidylyl-(3′→5′)-3′-thymidylyl]- (9CI)
Appearance:
Storage:
Store in 2-8°C for long term (months)
Boiling point:
Melting point:
Flash point:
Smiles:
O=C1N([C@H]2C[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(NCCC(O)=O)(=O)O)C[C@@H](O6)N7C(=O)NC(=O)C(C)=C7)(=O)O)C[C@@H](O5)N8C(=O)NC(=O)C(C)=C8)(=O)O)C[C@@H](O4)N9C(=O)NC(=O)C(C)=C9)(=O)O)C[C@@H](O3)N%10C(=O)NC(=O)C(C)=C%10)(=O)O)[C@@H](COP(O[C@@H]%11[C@@H](COP(O[C@@H]%12[C@@H](COP(O[C@@H]%13[C@@H](COP(NCCC(O)=O)(=O)O)O[C@H](C%13)N%14C(=O)NC(=O)C(C)=C%14)(=O)O)O[C@H](C%12)N%15C(=O)NC(=O)C(C)=C%15)(=O)O)O[C@H](C%11)N%16C(=O)NC(=O)C(C)=C%16)(=O)O)O2)C=C(C)C(=O)N1
InchiKey:
KLYCNMZGXXVRCU-SOIVWLBHSA-N
Inchi:
InChI=1S/C86H117N18O62P9/c1-37-21-97(79(117)89-71(37)109)61-13-45(159-168(127,128)88-12-10-70(107)108)54(152-61)30-144-169(129,130)161-47-15-63(99-23-39(3)73(111)91-81(99)119)154-56(47)32-146-171(133,134)163-49-17-65(101-25-41(5)75(113)93-83(101)121)156-58(49)34-148-173(137,138)165-51-19-67(103-27-43(7)77(115)95-85(103)123)158-60(51)36-150-175(141,142)166-52-20-68(104-28-44(8)78(116)96-86(104)124)157-59(52)35-149-174(139,140)164-50-18-66(102-26-42(6)76(114)94-84(102)122)155-57(50)33-147-172(135,136)162-48-16-64(100-24-40(4)74(112)92-82(100)120)153-55(48)31-145-170(131,132)160-46-14-62(98-22-38(2)72(110)90-80(98)118)151-53(46)29-143-167(125,126)87-11-9-69(105)106/h21-28,45-68H,9-20,29-36H2,1-8H3,(H,105,106)(H,107,108)(H,129,130)(H,131,132)(H,133,134)(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H2,87,125,126)(H2,88,127,128)(H,89,109,117)(H,90,110,118)(H,91,111,119)(H,92,112,120)(H,93,113,121)(H,94,114,122)(H,95,115,123)(H,96,116,124)/t45-,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+/m0/s1
