Cas no 314041-00-4 (Inosine5'-(tetrahydrogen triphosphate), trisodium salt, monohydrate (9CI))
314041-00-4 structure
Product Name:Inosine5'-(tetrahydrogen triphosphate), trisodium salt, monohydrate (9CI)
CAS No:314041-00-4
MF:C10H14N4Na3O15P3
MW:592.126557826996
CID:301052
PubChem ID:135742138
Update Time:2025-04-19
Inosine5'-(tetrahydrogen triphosphate), trisodium salt, monohydrate (9CI) Chemical and Physical Properties
Names and Identifiers
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- Inosine5'-(tetrahydrogen triphosphate), trisodium salt, monohydrate (9CI)
- Inosine 5-triphosphate trisodium salt hydrate
- 314041-00-4
- Sodium((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)tetrahydrofuran-2-yl)methylhydrogentriphosphatehydrate
- Sodium ((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl hydrogentriphosphate hydrate
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- Inchi： 1S/C10H15N4O14P3.3Na.H2O/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;;;/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20);;;;1H2/q;3*+1;/p-3/t4-,6-,7-,10-;;;;/m1..../s1
- InChI Key： SCUBDJWMGMJWFV-KWIZKVQNSA-K
- SMILES： P(=O)([O-])(OP(=O)([O-])OP(=O)([O-])O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(NC=NC2=3)=O)O1)O)O.[Na+].[Na+].[Na+].O
Computed Properties
- Exact Mass: 591.93615959g/mol
- Monoisotopic Mass: 591.93615959g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 17
- Heavy Atom Count: 35
- Rotatable Bond Count: 8
- Complexity: 862
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 278?2
Experimental Properties
- Melting Point: 160?°C (dec.)(lit.)
Inosine5'-(tetrahydrogen triphosphate), trisodium salt, monohydrate (9CI) Security Information
- Hazard Category Code： 23/24/25-36/37/38
- Safety Instruction： 22-26-36-45
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Hazardous Material Identification：
Inosine5'-(tetrahydrogen triphosphate), trisodium salt, monohydrate (9CI) Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
Related Categories
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleoside triphosphates
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Purine ribonucleoside triphosphates
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