CAS 102029-67-4 | Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'→5'-ester with 3-acetyl-1-β-D-ribofuranosylpyridinium, inner salt, disodium salt (9CI) | CAS Number 102029-67-4

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102029-67-4 | Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'→5'-ester with 3-acetyl-1-β-D-ribofuranosylpyridinium, inner salt, disodium salt (9CI)

CAS No: 102029-67-4 Catalog No: AG0006EC MDL No:

Product Description

Catalog Number:

AG0006EC

Chemical Name:

Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'→5'-ester with 3-acetyl-1-β-D-ribofuranosylpyridinium, inner salt, disodium salt (9CI)

CAS Number:

102029-67-4

Molecular Formula:

C22H30N6NaO17P3+

Molecular Weight:

766.4147

IUPAC Name:

[[5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate;sodium

InChI:

InChI=1S/C22H29N6O17P3.Na/c1-10(29)11-3-2-4-27(5-11)21-16(31)15(30)12(42-21)6-40-47(36,37)45-48(38,39)41-7-13-18(44-46(33,34)35)17(32)22(43-13)28-9-26-14-19(23)24-8-25-20(14)28;/h2-5,8-9,12-13,15-18,21-22,30-32H,6-7H2,1H3,(H5-,23,24,25,33,34,35,36,37,38,39);/p+1

InChI Key:

KZDYAZWFKFRMNK-UHFFFAOYSA-O

SMILES:

OC1C(COP(=O)(OP(=O)(OCC2OC(C(C2OP(=O)(O)O)O)n2cnc3c2ncnc3N)O)O)OC(C1O)[n+]1cccc(c1)C(=O)C.[Na]