Synonyms:
α-3′-Thymidylic acid, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-P-(4-chlorophenyl)-2′-deoxy-α-adenylyl-(3′→5′)-P-(4-chlorophenyl)-α-thymidylyl-(3′→5′)-N-benzoyl-P-(4-chlorophenyl)-2′-deoxy-α-adenylyl-(3′→5′)-, 4-chlorophenyl 2-cyanoethyl ester (9CI)
Appearance:
Storage:
Store in 2-8°C for long term (months)
Boiling point:
Melting point:
Flash point:
Smiles:
C(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(OC5=CC=C(Cl)C=C5)(OCCC#N)=O)C[C@H](O4)N6C(=O)NC(=O)C(C)=C6)(OC7=CC=C(Cl)C=C7)=O)C[C@H](O3)N8C=9C(N=C8)=C(NC(=O)C%10=CC=CC=C%10)N=CN9)(OC%11=CC=C(Cl)C=C%11)=O)C[C@H](O2)N%12C(=O)NC(=O)C(C)=C%12)(OC%13=CC=C(Cl)C=C%13)=O)C[C@H](O1)N%14C=%15C(N=C%14)=C(NC(=O)C%16=CC=CC=C%16)N=CN%15)(C%17=CC=C(OC)C=C%17)(C%18=CC=C(OC)C=C%18)C%19=CC=CC=C%19
InchiKey:
QORCHBUZCFYVHO-OEKLNYIKSA-N
Inchi:
InChI=1S/C102H93Cl4N15O29P4/c1-61-51-118(100(126)116-96(61)122)86-47-79(147-151(128,135-46-14-45-107)143-74-37-25-68(103)26-38-74)83(140-86)54-137-154(131,146-77-43-31-71(106)32-44-77)150-81-50-89(121-60-113-91-93(109-58-111-95(91)121)115-99(125)64-17-10-6-11-18-64)142-85(81)56-138-153(130,145-76-41-29-70(105)30-42-76)149-80-48-87(119-52-62(2)97(123)117-101(119)127)141-84(80)55-136-152(129,144-75-39-27-69(104)28-40-75)148-78-49-88(120-59-112-90-92(108-57-110-94(90)120)114-98(124)63-15-8-5-9-16-63)139-82(78)53-134-102(65-19-12-7-13-20-65,66-21-33-72(132-3)34-22-66)67-23-35-73(133-4)36-24-67/h5-13,15-44,51-52,57-60,78-89H,14,46-50,53-56H2,1-4H3,(H,116,122,126)(H,117,123,127)(H,108,110,114,124)(H,109,111,115,125)/t78-,79-,80-,81-,82+,83+,84+,85+,86-,87-,88-,89-,151?,152?,153?,154?/m0/s1