Cas no 1312013-63-0 (Adenosine 5'-(trihydrogen diphosphate), P'→5-ester with D-ribose 3-(2-hydroxypropanoate))

Adenosine 5'-(trihydrogen diphosphate), P'→5-ester with D-ribose 3-(2-hydroxypropanoate) structure
1312013-63-0 structure
Product Name:Adenosine 5'-(trihydrogen diphosphate), P'→5-ester with D-ribose 3-(2-hydroxypropanoate)
CAS No:1312013-63-0
MF:C18H27N5O16P2
MW:631.378406763077
CID:5598686
Update Time:2023-09-01

Adenosine 5'-(trihydrogen diphosphate), P'→5-ester with D-ribose 3-(2-hydroxypropanoate) Chemical and Physical Properties

Names and Identifiers

    • Adenosine 5'-(trihydrogen diphosphate), P'→5-ester with D-ribose 3-(2-hydroxypropanoate)
    • Inchi: 1S/C18H27N5O16P2/c1-7(25)18(30)38-14(8(26)2-24)9(27)3-35-40(31,32)39-41(33,34)36-4-10-12(28)13(29)17(37-10)23-6-22-11-15(19)20-5-21-16(11)23/h2,5-10,12-14,17,25-29H,3-4H2,1H3,(H,31,32)(H,33,34)(H2,19,20,21)/t7?,8-,9+,10+,12+,13+,14-,17+/m0/s1
    • InChI Key: LCQWREWIJUOPJO-KNAOROFQSA-N
    • SMILES: O[C@@H]1[C@@H]([C@@H](COP(O)(=O)OP(O)(=O)OC[C@@H](O)[C@H]([C@@H](O)C=O)OC(=O)C(O)C)O[C@H]1N1C=NC2=C(N=CN=C12)N)O

Adenosine 5'-(trihydrogen diphosphate), P'→5-ester with D-ribose 3-(2-hydroxypropanoate) Production Method

Production Method 1

Reaction Conditions
1.1R:C5H5N, rt
1.220 min, 90°C
1.3S:MeOH, S:EtOH, S:Me2CHOH, 90°C → rt
Reference
One-Step, Non-Enzymatic Synthesis of O-Acetyl-ADP-ribose and Analogs from NAD and Carboxylates
By Szczepankiewicz, Bruce G. et al, Journal of Organic Chemistry, 2011, 76(16), 6465-6474

Adenosine 5'-(trihydrogen diphosphate), P'→5-ester with D-ribose 3-(2-hydroxypropanoate) Raw materials

Adenosine 5'-(trihydrogen diphosphate), P'→5-ester with D-ribose 3-(2-hydroxypropanoate) Preparation Products

Adenosine 5'-(trihydrogen diphosphate), P'→5-ester with D-ribose 3-(2-hydroxypropanoate) Related Literature

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