Cas no 95854-63-0 (1-(Carboxymethyl)adenosine 5′-(trihydrogen diphosphate) P′→5′ ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium)
95854-63-0 structure
Product Name:1-(Carboxymethyl)adenosine 5′-(trihydrogen diphosphate) P′→5′ ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium
CAS No:95854-63-0
MF:C23H30N7O16P2
MW:722.469127178192
CID:6949766
Update Time:2025-07-07
1-(Carboxymethyl)adenosine 5′-(trihydrogen diphosphate) P′→5′ ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium Chemical and Physical Properties
Names and Identifiers
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- Adenosine 5′-(trihydrogen diphosphate), 1-(carboxymethyl)-, P′→5′ ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium
- 1-(Carboxymethyl)adenosine 5′-(trihydrogen diphosphate) P′→5′ ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium
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- Inchi： 1S/C23H29N7O16P2/c24-19-14-21(27-8-29(19)5-13(31)32)30(9-26-14)23-18(36)16(34)12(45-23)7-43-48(40,41)46-47(38,39)42-6-11-15(33)17(35)22(44-11)28-3-1-2-10(4-28)20(25)37/h1-4,8-9,11-12,15-18,22-24,33-36H,5-7H2,(H4-,25,31,32,37,38,39,40,41)/p+1/t11-,12-,15-,16-,17-,18-,22-,23-/m1/s1
- InChI Key： FOLDDVCFJGPLDT-HLJFHFDASA-O
- SMILES： O[C@@H]1[C@@H]([C@H](O[C@H]1N1C=NC2C(N(C=NC1=2)CC(=O)O)=N)COP(O)(=O)OP(O)(=O)OC[C@@H]1[C@H]([C@H]([C@H]([N+]2=CC=CC(=C2)C(=O)N)O1)O)O)O
Experimental Properties
- pka: 1.133±0.50(predicted)
1-(Carboxymethyl)adenosine 5′-(trihydrogen diphosphate) P′→5′ ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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