Triadenylyl-(2'-3')-adenylyl-cytidylic acid
[CAS# 77354-26-8]

Identification

• Name: Triadenylyl-(2'-3')-adenylyl-cytidylic acid
• Synonyms: 2-5A4-3'-Pcp; Adenosine-5'-(Tetrahydrogen Triphosphate), 3'-O-Phosphonocytidylyl-(5'-3')-Adenylyl-(5'-2')-Adenylyl-(5'-2')-Adenylyl-(5'-2')-, (R-(E))-; Ppp(A2'p)(3)A3'pcp
• Molecular Formula: C₄₉H₆₅N₂₃O₄₁P₈
• Molecular Weight: 1879.97
• CAS Registry Number: 77354-26-8
• SMILES: [C@]2(O[C@@H](N1C=CC(=NC1=O)N)[C@H](O)[C@@]2(O)C[C@H]5O[C@@H]([N]4C3=NC=NC(=C3N=C4)N)[C@H](O[P](O[P](O[P](O[P](O)(O)=O)(O)=O)(O)=O)(O)=O)[C@@H]5O)(C(C[C@H]8O[C@@H]([N]7C6=NC=NC(=C6N=C7)N)[C@H](O)[C@@H]8O[P](O[P](O[P](O[P](O)(O)=O)(O)=O)(O)=O)(O)=O)C[C@H]%11O[C@@H]([N]%10C9=NC=NC(=C9N=C%10)N)[C@H](O)[C@@H]%11O)C[C@H]%14O[C@@H](N%13C%12=NC(=O)NC(=C%12N=C%13)N)[C@H](O)[C@@H]%14O
• InChI: 1S/C49H65N23O41P8/c50-19-1-2-68(47(81)65-19)45-32(79)48(82,5-17-26(75)31(44(104-17)71-12-63-22-35(53)57-9-60-39(22)71)107-117(91,92)111-121(99,100)113-119(95,96)109-115(86,87)88)49(105-45,6-18-25(74)28(77)42(103-18)72-13-64-23-36(54)66-46(80)67-40(23)72)14(3-15-24(73)27(76)41(101-15)69-10-61-20-33(51)55-7-58-37(20)69)4-16-30(29(78)43(102-16)70-11-62-21-34(52)56-8-59-38(21)70)106-116(89,90)110-120(97,98)112-118(93,94)108-114(83,84)85/h1-2,7-18,24-32,41-45,73-79,82H,3-6H2,(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H2,50,65,81)(H2,51,55,58)(H2,52,56,59)(H2,53,57,60)(H2,83,84,85)(H2,86,87,88)(H3,54,66,67,80)/t14?,15-,16-,17-,18-,24-,25-,26-,27-,28-,29-,30-,31-,32+,41-,42-,43-,44-,45-,48+,49-/m1/s1
• InChIKey: RGYPCSWOHZNRAG-JJSYZGLZSA-N

Properties

• Density: 2.707g/cm³ (Cal.)