Synonyms:
α-Thymidine, 5′-O-[bis(2-cyanoethoxy)phosphinothioyl]-P-(4-chlorophenyl)-α-thymidylyl-(3′→5′)-P-(4-chlorophenyl)-α-thymidylyl-(3′→5′)-P-(4-chlorophenyl)-α-thymidylyl-(3′→5′)-P-(4-chlorophenyl)-α-thymidylyl-(3′→5′)-P-(4-chlorophenyl)-α-thymidylyl-(3′→5′)-P-(4-chlorophenyl)-α-thymidylyl-(3′→5′)-P-(4-chlorophenyl)-α-thymidylyl-(3′→5′)-, 3′-benzoate (9CI)
Appearance:
Storage:
Store in 2-8°C for long term (months)
Boiling point:
Melting point:
Flash point:
Smiles:
O(P(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](OC(=O)C5=CC=CC=C5)C[C@H](O4)N6C(=O)NC(=O)C(C)=C6)(OC7=CC=C(Cl)C=C7)=O)C[C@H](O3)N8C(=O)NC(=O)C(C)=C8)(OC9=CC=C(Cl)C=C9)=O)C[C@H](O2)N%10C(=O)NC(=O)C(C)=C%10)(OC%11=CC=C(Cl)C=C%11)=O)C[C@H](O1)N%12C(=O)NC(=O)C(C)=C%12)(OC%13=CC=C(Cl)C=C%13)=O)[C@@H]%14[C@@H](COP(O[C@@H]%15[C@@H](COP(O[C@@H]%16[C@@H](COP(O[C@@H]%17[C@@H](COP(OCCC#N)(OCCC#N)=S)O[C@@H](C%17)N%18C(=O)NC(=O)C(C)=C%18)(OC%19=CC=C(Cl)C=C%19)=O)O[C@@H](C%16)N%20C(=O)NC(=O)C(C)=C%20)(OC%21=CC=C(Cl)C=C%21)=O)O[C@@H](C%15)N%22C(=O)NC(=O)C(C)=C%22)(OC%23=CC=C(Cl)C=C%23)=O)O[C@@H](C%14)N%24C(=O)NC(=O)C(C)=C%24
InchiKey:
URYGCSQIFZTUCL-HSMKORBISA-N
Inchi:
InChI=1S/C135H137Cl7N18O57P8S/c1-72-56-153(128(170)145-119(72)161)111-48-95(203-127(169)80-14-10-9-11-15-80)103(195-111)64-187-218(178,204-88-30-16-81(136)17-31-88)211-96-49-112(154-57-73(2)120(162)146-129(154)171)196-104(96)65-188-219(179,205-89-32-18-82(137)19-33-89)212-97-50-113(155-58-74(3)121(163)147-130(155)172)197-105(97)66-189-220(180,206-90-34-20-83(138)21-35-90)213-98-51-114(156-59-75(4)122(164)148-131(156)173)198-106(98)67-190-221(181,207-91-36-22-84(139)23-37-91)214-99-52-115(157-60-76(5)123(165)149-132(157)174)199-107(99)68-191-222(182,208-92-38-24-85(140)25-39-92)215-100-53-116(158-61-77(6)124(166)150-133(158)175)200-108(100)69-192-223(183,209-93-40-26-86(141)27-41-93)216-101-54-117(159-62-78(7)125(167)151-134(159)176)201-109(101)70-193-224(184,210-94-42-28-87(142)29-43-94)217-102-55-118(160-63-79(8)126(168)152-135(160)177)202-110(102)71-194-225(226,185-46-12-44-143)186-47-13-45-144/h9-11,14-43,56-63,95-118H,12-13,46-55,64-71H2,1-8H3,(H,145,161,170)(H,146,162,171)(H,147,163,172)(H,148,164,173)(H,149,165,174)(H,150,166,175)(H,151,167,176)(H,152,168,177)/t95-,96-,97-,98-,99-,100-,101-,102-,103+,104+,105+,106+,107+,108+,109+,110+,111-,112-,113-,114-,115-,116-,117-,118-,218?,219?,220?,221?,222?,223?,224?/m0/s1