Cas no 10318-62-4 (cytidylyl(5'→2')adenosine)
10318-62-4 structure
Product Name:cytidylyl(5'→2')adenosine
CAS No:10318-62-4
MF:C19H25N8O11P
MW:572.422564268112
CID:1135787
PubChem ID:112102
Update Time:2025-04-20
cytidylyl(5'→2')adenosine Chemical and Physical Properties
Names and Identifiers
-
- Cytidylyl(5'.2')adenosine
- [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen phosphate (non-preferred name)
- [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
- Adenylyl-(2a(2)a5a(2))-cytidine
- EINECS 233-700-1
- DTXSID001312644
- 10318-62-4
- cytidylyl(5'→2')adenosine
-
- Inchi： 1S/C19H25N8O11P/c20-9-1-2-26(19(32)25-9)17-13(31)11(29)8(37-17)4-35-39(33,34)38-14-12(30)7(3-28)36-18(14)27-6-24-10-15(21)22-5-23-16(10)27/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H,33,34)(H2,20,25,32)(H2,21,22,23)
- InChI Key： URZNAIZQTLTEJZ-UHFFFAOYSA-N
- SMILES： NC1=NC(=O)N(C2C(O)C(O)C(COP(OC3C(N4C5C(=C(N=CN=5)N)N=C4)OC(CO)C3O)(=O)O)O2)C=C1
Computed Properties
- Exact Mass: 572.13825
- Monoisotopic Mass: 572.138
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 39
- Rotatable Bond Count: 8
- Complexity: 1040
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 283?2
- XLogP3: _5.2
Experimental Properties
- Density: 2.23
- Boiling Point: 993.2°C at 760 mmHg
- Flash Point: 554.5°C
- Refractive Index: 1.903
- PSA: 283.45
- LogP: -2.21800
cytidylyl(5'→2')adenosine Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
Related Categories
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine ribonucleoside monophosphates
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine ribonucleotides Pyrimidine ribonucleoside monophosphates
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