2'/3'-O-Acetyl ADP Ribose-13C5(A mixture of 2'/3'-O-Acetyl ADP Ribose-13C5)

Analyte Name

2'/3'-O-Acetyl ADP Ribose-13C5(A mixture of 2'/3'-O-Acetyl ADP Ribose-13C5)

Molecular Formula

C12¹³C5H23N5Na2O15P2

Molecular Weight

650.28

Accurate Mass

650.06

SMILES

O[13C@@H]1[13C@H](OC(C)=O)[13C@@H]([13CH2]OP(OP(OC[C@H]2O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]2O)(O[Na])=O)(O[Na])=O)O[13CH]1O.O[13C@H]5[13C@@H](OC(C)=O)[13CH](O)O[13C@@H]5[13CH2]OP(OP(OC[C@H]6O[C@@H](N7C=NC8=C7N=CN=C8N)[C@H](O)[C@@H]6O)(O[Na])=O)(O[Na])=O

InChI

InChI=1S/2C17H25N5O15P2.4Na/c1-6(23)34-13-8(36-17(27)12(13)26)3-33-39(30,31)37-38(28,29)32-2-7-10(24)11(25)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22;1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22;;;;/h2*4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20);;;;/q;;4*+1/p-4/t2*7-,8-,10-,11-,12-,13-,16-,17?;;;;/m11..../s1/i3+1,8+1,12+1,13+1,17+1;3+1,8+1,11+1,13+1,17+1;;;;

IUPAC

[[(2R,3S,4R)-3-acetyloxy-4,5-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methoxy-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-sodiooxyphosphoryl]oxyphosphoryl]oxysodium;[[(2R,3R,4R)-4-acetyloxy-3,5-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methoxy-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-sodiooxyphosphoryl]oxyphosphoryl]oxysodium

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat