Cas no 60797-91-3 (Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium-4-d, inner salt)

Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium-4-d, inner salt structure
60797-91-3 structure
Product Name:Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium-4-d, inner salt
CAS No:60797-91-3
MF:C21H27N7O14P2
MW:663.425106287003
CID:4745358
Update Time:2022-07-25

Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium-4-d, inner salt Chemical and Physical Properties

Names and Identifiers

    • Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium-4-d, inner salt
    • 3-Carbamoyl-1-β-D-ribofuranosylpyridinium-4-d hydroxide, 5'-ester with adenosine 5'-pyrophosphate, inner salt (7CI)
    • Inchi： 1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
    • InChI Key： BAWFJGJZGIEFAR-NNYOXOHSSA-N
    • SMILES： O[C@@H]1[C@@H]([C@@H](COP(O)(=O)OP([O-])(=O)OC[C@@H]2[C@H]([C@@H](O)[C@H]([N+]3=CC=C([H])C(C(=O)N)=C3)O2)O)O[C@H]1N1C=NC2C(=NC=NC1=2)N)O

Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium-4-d, inner salt Production Method

Production Method 1

Reaction Conditions
1.1R:EtOH-d6, C:Alcohol dehydrogenase, S:H2O, 3 h
2.1R:C:9075-65-4, S:H2O, 28 h
Reference
Secoisolariciresinol dehydrogenase: mode of catalysis and stereospecificity of hydride transfer in Podophyllum peltatum
By Moinuddin, Syed G. A. et al, Organic & Biomolecular Chemistry, 2006, 4(5), 808-816

Production Method 2

Reaction Conditions
1.1R:C:9028-53-9
2.1R:Cyclohexanone, C:150316-13-5
Reference
α-Secondary Isotope Effects as Probes of "Tunneling-Ready" Configurations in Enzymatic H-Tunneling: Insight from Environmentally Coupled Tunneling Models
By Pudney, Christopher R. et al, Journal of the American Chemical Society, 2006, 128(43), 14053-14058

Production Method 3

Reaction Conditions
1.1C:Alcohol dehydrogenase, S:D2O
Reference
Stereospecificity of hydride transfer during the dismutation of aldehydes catalyzed by alcohol dehydrogenases
By Velonia, K. and Smonou, I., Tetrahedron: Asymmetry, 2001, 12(22), 3119-3123

Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium-4-d, inner salt Raw materials

Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium-4-d, inner salt Preparation Products

Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium-4-d, inner salt Related Literature

60797-91-3 (Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium-4-d, inner salt) Related Products

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