TNP-ATP Triethylammonium Salt

Analyte Name

TNP-ATP Triethylammonium Salt

Molecular Formula

C16H13N8O19P3 • 4(C6H16N)

Molecular Weight

1123.04

Accurate Mass

1122.47

SMILES

CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.OP(OP(OP(OC[C@@H]1[C@@]2([H])OC3(O[C@]2([C@@H](O1)N4C=NC5=C(N=CN=C54)N)[H])C([N+]([O-])=O)=C/C(C=C3[N+]([O-])=O)=[N+]([O-])/[O-])([O-])=O)([O-])=O)([O-])=O.CC[NH+](CC)CC

InChI

InChI=1S/C16H16N8O19P3.4C6H15N/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30;4*1-4-7(5-2)6-3/h1-2,4-5,7,11-12,15H,3H2,(H6-,17,18,19,25,26,31,32,33,34,35,36,37);4*4-6H2,1-3H3/q-1;;;;/p+1/t7-,11-,12-,15-;;;;/m1..../s1

IUPAC

triethylammonium ((3a'R,4'R,6'R,6a'R)-4'-(6-amino-9H-purin-9-yl)-6'-(((((((hydroxyoxidophosphoryl)oxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)-2,6-dinitro-3a',4',6',6a'-tetrahydrospiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole]-2,5-dien-4-ylidene)azinate

Alternate CAS Number

Pentaanion: 61368-63-6; Free Form: 120360-48-7

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat