Synonyms:
α-3′-Thymidylic acid, 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′)-, monoanhydride with benzoic acid (9CI)
Appearance:
Storage:
Store in 2-8°C for long term (months)
Boiling point:
Melting point:
Flash point:
Smiles:
C(OP(O[C@@H]1[C@@H](COP(O[C@@H]2[C@@H](COP(O[C@@H]3[C@@H](COP(OCCC#N)(OCCC#N)=S)O[C@@H](C3)N4C(=O)NC(=O)C(C)=C4)(OC5=CC=C(Cl)C=C5)=O)O[C@@H](C2)N6C(=O)NC(=O)C(C)=C6)(OC7=CC=C(Cl)C=C7)=O)O[C@@H](C1)N8C(=O)NC(=O)C(C)=C8)(OC9=CC=C(Cl)C=C9)=O)[C@@H]%10[C@@H](OP(OC[C@@H]%11[C@@H](OP(OC[C@@H]%12[C@@H](OP(OC[C@@H]%13[C@@H](OP(OC[C@@H]%14[C@@H](OP(OC(=O)C%15=CC=CC=C%15)(=O)O)C[C@H](O%14)N%16C(=O)NC(=O)C(C)=C%16)(OC%17=CC=C(Cl)C=C%17)=O)C[C@H](O%13)N%18C(=O)NC(=O)C(C)=C%18)(OC%19=CC=C(Cl)C=C%19)=O)C[C@H](O%12)N%20C(=O)NC(=O)C(C)=C%20)(OC%21=CC=C(Cl)C=C%21)=O)C[C@H](O%11)N%22C(=O)NC(=O)C(C)=C%22)(OC%23=CC=C(Cl)C=C%23)=O)C[C@H](O%10)N%24C(=O)NC(=O)C(C)=C%24
InchiKey:
YGYVXXXNLVSEAU-IGOVXRTHSA-N
Inchi:
InChI=1S/C135H138Cl7N18O60P9S/c1-72-56-153(128(170)145-119(72)161)111-48-95(212-221(178,179)220-127(169)80-14-10-9-11-15-80)103(197-111)64-189-222(180,205-88-30-16-81(136)17-31-88)213-96-49-112(154-57-73(2)120(162)146-129(154)171)198-104(96)65-190-223(181,206-89-32-18-82(137)19-33-89)214-97-50-113(155-58-74(3)121(163)147-130(155)172)199-105(97)66-191-224(182,207-90-34-20-83(138)21-35-90)215-98-51-114(156-59-75(4)122(164)148-131(156)173)200-106(98)67-192-225(183,208-91-36-22-84(139)23-37-91)216-99-52-115(157-60-76(5)123(165)149-132(157)174)201-107(99)68-193-226(184,209-92-38-24-85(140)25-39-92)217-100-53-116(158-61-77(6)124(166)150-133(158)175)202-108(100)69-194-227(185,210-93-40-26-86(141)27-41-93)218-101-54-117(159-62-78(7)125(167)151-134(159)176)203-109(101)70-195-228(186,211-94-42-28-87(142)29-43-94)219-102-55-118(160-63-79(8)126(168)152-135(160)177)204-110(102)71-196-229(230,187-46-12-44-143)188-47-13-45-144/h9-11,14-43,56-63,95-118H,12-13,46-55,64-71H2,1-8H3,(H,178,179)(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-,222?,223?,224?,225?,226?,227?,228?/m0/s1