Cas no 220374-02-7 (5'-Inosinic acid--water (1/9))
5'-Inosinic acid--water (1/9) structure
Product Name:5'-Inosinic acid--water (1/9)
CAS No:220374-02-7
MF:C10H31N4O17P
MW:510.343505144119
CID:2847149
PubChem ID:136239715
Update Time:2024-03-01
5'-Inosinic acid--water (1/9) Chemical and Physical Properties
Names and Identifiers
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- 5'-Inosinic acid--water (1/9)
- ((2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-hydroxy-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate nonahydrate
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- Inchi： 1S/C10H13N4O8P.9H2O/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;;;;;;;;/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);9*1H2/t4-,6-,7-,10-;;;;;;;;;/m1........./s1
- InChI Key： ZBMBVCILVNTYFG-HCPZZMJLSA-N
- SMILES： P(=O)(O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(NC=NC2=3)=O)O1)O)O.O.O.O.O.O.O.O.O.O
Computed Properties
- Exact Mass: 510.14218253g/mol
- Monoisotopic Mass: 510.14218253g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 14
- Hydrogen Bond Acceptor Count: 19
- Heavy Atom Count: 32
- Rotatable Bond Count: 4
- Complexity: 555
- Covalently-Bonded Unit Count: 10
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 185
5'-Inosinic acid--water (1/9) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
Related Categories
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleoside monophosphates
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Purine ribonucleoside monophosphates
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