Cas no 108321-28-4 (Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'®5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyridinecarboxamide,sodium salt (9CI))
108321-28-4 structure
Product Name:Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'®5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyridinecarboxamide,sodium salt (9CI)
CAS No:108321-28-4
MF:C21H30N7NaO17P3
MW:768.410658359528
CID:127924
PubChem ID:16219732
Update Time:2025-04-18
Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'®5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyridinecarboxamide,sodium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- [[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate,sodium
- ALPHA-NADPH SODIUM SALT
- A-NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, REDUCED FORM SODIUM SALT
- 5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyri
- 5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyridinecarboxamide,sodium salt (9CI)
- Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'®
- ALPHA-TPNH SODIUM SALT
- A-nicotinamide adenine dinucleotide*phosphate red
- A-NICOTINAMIDE ADENINE DINUCLEOTIDE*PHOS PHATE REDUC
- ALPHA-TRIPHOSPHOPYRIDINE NUCLEOTIDE, REDUCED FORM SODIUM SALT
- α-NADPH, α-TPNH, α-Triphosphopyridine nucleotide, reduced form
- ALPHA-NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, REDUCED FORM SODIUM SALT
- CID 16219732
- [[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;sodium
- DTXSID70585233
- 108321-28-4
- PUBCHEM_16219732
- Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'®5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyridinecarboxamide,sodium salt (9CI)
-
- Inchi: 1S/C21H30N7O17P3.Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-15(31)16(44-46(33,34)35)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)14(30)20(42-10)27-3-1-2-9(4-27)18(23)32;/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35);
- InChI Key: JPYVMBKHHSQDKS-UHFFFAOYSA-N
- SMILES: P(=O)(O)(O)OC1C(COP(=O)(O)OP(=O)(O)OCC2C(C(C(N3C=CCC(C(N)=O)=C3)O2)O)O)OC(C1O)N1C=NC2C(N)=NC=NC1=2.[Na]
Computed Properties
- Exact Mass: 768.0811
- Monoisotopic Mass: 768.08087279g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 22
- Heavy Atom Count: 49
- Rotatable Bond Count: 13
- Complexity: 1410
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 8
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 364?2
Experimental Properties
- PSA: 364.15
- LogP: -0.90060
Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'®5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyridinecarboxamide,sodium salt (9CI) Security Information
- WGK Germany:3
- Storage Condition:?20°C
Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'®5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyridinecarboxamide,sodium salt (9CI) Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
108321-28-4 (Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'®5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyridinecarboxamide,sodium salt (9CI)) Related Products
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